3-[4-[3-[1-[3-(3-acetamidopropylamino)-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]-N-(3-aminopropyl)propanamide;1-[4-[3-[1-(7-amino-3-oxoheptyl)piperidin-4-yl]propyl]piperidin-1-yl]-11-[4-[3-(1-propylpiperidin-4-yl)propyl]piperidin-1-yl]undecane-3,9-dione

C74H139N11O6 — CID 157499129

IUPAC3-[4-[3-[1-[3-(3-acetamidopropylamino)-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]-N-(3-aminopropyl)propanamide;1-[4-[3-[1-(7-amino-3-oxoheptyl)piperidin-4-yl]propyl]piperidin-1-yl]-11-[4-[3-(1-propylpiperidin-4-yl)propyl]piperidin-1-yl]undecane-3,9-dione
SMILESCC(=O)NCCCNC(=O)CCN1CCC(CCCC2CCN(CCC(=O)NCCCN)CC2)CC1.CCCN1CCC(CCCC2CCN(CCC(=O)CCCCCC(=O)CCN3CCC(CCCC4CCN(CCC(=O)CCCCN)CC4)CC3)CC2)CC1
InChIInChI=1S/C47H87N5O3.C27H52N6O3/c1-2-29-49-30-17-41(18-31-49)10-8-11-42-19-32-50(33-20-42)38-25-45(53)14-4-3-5-15-46(54)26-39-51-34-21-43(22-35-51)12-9-13-44-23-36-52(37-24-44)40-27-47(55)16-6-7-28-48;1-23(34)29-15-4-16-31-27(36)12-22-33-19-9-25(10-20-33)6-2-5-24-7-17-32(18-8-24)21-11-26(35)30-14-3-13-28/h41-44H,2-40,48H2,1H3;24-25H,2-22,28H2,1H3,(H,29,34)(H,30,35)(H,31,36)
InChIKeyBYEQWYFQWMZUNA-UHFFFAOYSA-N
MW1279.00 g/mol
LogP10.01
Rot. Bonds46

About 3-[4-[3-[1-[3-(3-acetamidopropylamino)-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]-N-(3-aminopropyl)propanamide;1-[4-[3-[1-(7-amino-3-oxoheptyl)piperidin-4-yl]propyl]piperidin-1-yl]-11-[4-[3-(1-propylpiperidin-4-yl)propyl]piperidin-1-yl]undecane-3,9-dione

3-[4-[3-[1-[3-(3-acetamidopropylamino)-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]-N-(3-aminopropyl)propanamide;1-[4-[3-[1-(7-amino-3-oxoheptyl)piperidin-4-yl]propyl]piperidin-1-yl]-11-[4-[3-(1-propylpiperidin-4-yl)propyl]piperidin-1-yl]undecane-3,9-dione (PubChem CID 157499129) has the molecular formula C74H139N11O6 and a molecular weight of 1279.00 g/mol. Its IUPAC name is 3-[4-[3-[1-[3-(3-acetamidopropylamino)-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]-N-(3-aminopropyl)propanamide;1-[4-[3-[1-(7-amino-3-oxoheptyl)piperidin-4-yl]propyl]piperidin-1-yl]-11-[4-[3-(1-propylpiperidin-4-yl)propyl]piperidin-1-yl]undecane-3,9-dione.

Molecular Properties

Compound Name3-[4-[3-[1-[3-(3-acetamidopropylamino)-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]-N-(3-aminopropyl)propanamide;1-[4-[3-[1-(7-amino-3-oxoheptyl)piperidin-4-yl]propyl]piperidin-1-yl]-11-[4-[3-(1-propylpiperidin-4-yl)propyl]piperidin-1-yl]undecane-3,9-dione
PubChem CID157499129
Molecular FormulaC74H139N11O6
Molecular Weight1279.00 g/mol
Exact Mass1278.09
IUPAC Name3-[4-[3-[1-[3-(3-acetamidopropylamino)-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]-N-(3-aminopropyl)propanamide;1-[4-[3-[1-(7-amino-3-oxoheptyl)piperidin-4-yl]propyl]piperidin-1-yl]-11-[4-[3-(1-propylpiperidin-4-yl)propyl]piperidin-1-yl]undecane-3,9-dione
SMILESCC(=O)NCCCNC(=O)CCN1CCC(CCCC2CCN(CCC(=O)NCCCN)CC2)CC1.CCCN1CCC(CCCC2CCN(CCC(=O)CCCCCC(=O)CCN3CCC(CCCC4CCN(CCC(=O)CCCCN)CC4)CC3)CC2)CC1
InChIInChI=1S/C47H87N5O3.C27H52N6O3/c1-2-29-49-30-17-41(18-31-49)10-8-11-42-19-32-50(33-20-42)38-25-45(53)14-4-3-5-15-46(54)26-39-51-34-21-43(22-35-51)12-9-13-44-23-36-52(37-24-44)40-27-47(55)16-6-7-28-48;1-23(34)29-15-4-16-31-27(36)12-22-33-19-9-25(10-20-33)6-2-5-24-7-17-32(18-8-24)21-11-26(35)30-14-3-13-28/h41-44H,2-40,48H2,1H3;24-25H,2-22,28H2,1H3,(H,29,34)(H,30,35)(H,31,36)
InChIKeyBYEQWYFQWMZUNA-UHFFFAOYSA-N
XLogP10.01
TPSA209.99 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds46
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001279.00
LogP ≤ 510.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[4-[3-[1-[3-(3-acetamidopropylamino)-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]-N-(3-aminopropyl)propanamide;1-[4-[3-[1-(7-amino-3-oxoheptyl)piperidin-4-yl]propyl]piperidin-1-yl]-11-[4-[3-(1-propylpiperidin-4-yl)propyl]piperidin-1-yl]undecane-3,9-dione with MolForge

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Related Compounds

N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;N-[3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;N,N'-bis[2-[di(propan-2-yl)amino]ethyl]hexanediamide;N-[2-[di(propan-2-yl)amino]ethyl]dodecanamide
CID 54338405
N-[3-[3-[4-[3-[1-[3,9-dioxo-11-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]undecyl]piperidin-4-yl]propyl]piperidin-1-yl]propanoylamino]propyl]-3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanamide
CID 157054688
4-cyclohexyl-N-propan-2-ylbutanamide;N-[[1-[2-(dimethylamino)ethyl]-4-[2-(methylamino)ethyl]piperazin-2-yl]methyl]propan-2-amine;1,4-dimethyl-N-propan-2-ylpiperazine-2-carboxamide;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-propan-2-ylpiperidine-3-carboxamide
CID 157444280
N-cyclohexyl-2,2-dimethylpropanamide;1-cyclohexyl-2,2-dimethylpropan-1-one;bis(2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide);bis(2,2-dimethyl-1-(1-methylpiperidin-4-yl)propan-1-one);2,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;2,2-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)propan-1-one;2,2-dimethyl-N-propan-2-ylpropanamide
CID 157747692
9-Acetyl-2,2-dimethyl-1,9-diazaspiro[5.5]undecan-4-one;3,11-diacetyl-3,7,11-triazadispiro[5.1.58.36]hexadecan-15-one
CID 157768455
3-[4-[3-[1-[11-[4-[3-[1-(7-amino-3-oxoheptyl)piperidin-4-yl]propyl]piperidin-1-yl]-3,9-dioxoundecyl]piperidin-4-yl]propyl]piperidin-1-yl]-N-[3-(propanoylamino)propyl]propanamide
CID 157798793
1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-(1-methylpiperidin-2-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one
CID 158326031
1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-(1-methylpiperidin-2-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-3-yl)propan-1-one
CID 158507072
1-Propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one;5-propan-2-ylpiperidin-2-one;6-propan-2-ylpiperidin-2-one
CID 158694385
3-[4-[3-[1-[3-[3-[3-[4-[3-[1-[11-[4-[3-[1-(7-amino-3-oxoheptyl)piperidin-4-yl]propyl]piperidin-1-yl]-3,9-dioxoundecyl]piperidin-4-yl]propyl]piperidin-1-yl]propanoylamino]propylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]-N-(3-aminopropyl)propanamide
CID 158957442
N-(3-acetamidopropyl)-3-[4-[3-[1-[3,9-dioxo-11-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]undecyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide
CID 159876052
3-[4-[3-[1-[3,9-dioxo-11-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]undecyl]piperidin-4-yl]propyl]piperidin-1-yl]-N-[3-(propanoylamino)propyl]propanamide;1-ethyl-4-(3-piperidin-4-ylpropyl)piperidine
CID 160821733

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-[1-[3-(3-acetamidopropylamino)-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]-N-(3-aminopropyl)propanamide;1-[4-[3-[1-(7-amino-3-oxoheptyl)piperidin-4-yl]propyl]piperidin-1-yl]-11-[4-[3-(1-propylpiperidin-4-yl)propyl]piperidin-1-yl]undecane-3,9-dione?
The IUPAC name of 3-[4-[3-[1-[3-(3-acetamidopropylamino)-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]-N-(3-aminopropyl)propanamide;1-[4-[3-[1-(7-amino-3-oxoheptyl)piperidin-4-yl]propyl]piperidin-1-yl]-11-[4-[3-(1-propylpiperidin-4-yl)propyl]piperidin-1-yl]undecane-3,9-dione (CID 157499129) is 3-[4-[3-[1-[3-(3-acetamidopropylamino)-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]-N-(3-aminopropyl)propanamide;1-[4-[3-[1-(7-amino-3-oxoheptyl)piperidin-4-yl]propyl]piperidin-1-yl]-11-[4-[3-(1-propylpiperidin-4-yl)propyl]piperidin-1-yl]undecane-3,9-dione.
What is the SMILES notation for 3-[4-[3-[1-[3-(3-acetamidopropylamino)-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]-N-(3-aminopropyl)propanamide;1-[4-[3-[1-(7-amino-3-oxoheptyl)piperidin-4-yl]propyl]piperidin-1-yl]-11-[4-[3-(1-propylpiperidin-4-yl)propyl]piperidin-1-yl]undecane-3,9-dione?
The canonical SMILES for 3-[4-[3-[1-[3-(3-acetamidopropylamino)-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]-N-(3-aminopropyl)propanamide;1-[4-[3-[1-(7-amino-3-oxoheptyl)piperidin-4-yl]propyl]piperidin-1-yl]-11-[4-[3-(1-propylpiperidin-4-yl)propyl]piperidin-1-yl]undecane-3,9-dione is CC(=O)NCCCNC(=O)CCN1CCC(CCCC2CCN(CCC(=O)NCCCN)CC2)CC1.CCCN1CCC(CCCC2CCN(CCC(=O)CCCCCC(=O)CCN3CCC(CCCC4CCN(CCC(=O)CCCCN)CC4)CC3)CC2)CC1.
What is the InChIKey of 3-[4-[3-[1-[3-(3-acetamidopropylamino)-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]-N-(3-aminopropyl)propanamide;1-[4-[3-[1-(7-amino-3-oxoheptyl)piperidin-4-yl]propyl]piperidin-1-yl]-11-[4-[3-(1-propylpiperidin-4-yl)propyl]piperidin-1-yl]undecane-3,9-dione?
The InChIKey is BYEQWYFQWMZUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H87N5O3.C27H52N6O3/c1-2-29-49-30-17-41(18-31-49)10-8-11-42-19-32-50(33-20-42)38-25-45(53)14-4-3-5-15-46(54)26-39-51-34-21-43(22-35-51)12-9-13-44-23-36-52(37-24-44)40-27-47(55)16-6-7-28-48;1-23(34)29-15-4-16-31-27(36)12-22-33-19-9-25(10-20-33)6-2-5-24-7-17-32(18-8-24)21-11-26(35)30-14-3-13-28/h41-44H,2-40,48H2,1H3;24-25H,2-22,28H2,1H3,(H,29,34)(H,30,35)(H,31,36).
What are the key properties of 3-[4-[3-[1-[3-(3-acetamidopropylamino)-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]-N-(3-aminopropyl)propanamide;1-[4-[3-[1-(7-amino-3-oxoheptyl)piperidin-4-yl]propyl]piperidin-1-yl]-11-[4-[3-(1-propylpiperidin-4-yl)propyl]piperidin-1-yl]undecane-3,9-dione?
3-[4-[3-[1-[3-(3-acetamidopropylamino)-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]-N-(3-aminopropyl)propanamide;1-[4-[3-[1-(7-amino-3-oxoheptyl)piperidin-4-yl]propyl]piperidin-1-yl]-11-[4-[3-(1-propylpiperidin-4-yl)propyl]piperidin-1-yl]undecane-3,9-dione has a molecular weight of 1279.00 g/mol, XLogP of 10.01, 46 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-[1-[3-(3-acetamidopropylamino)-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]-N-(3-aminopropyl)propanamide;1-[4-[3-[1-(7-amino-3-oxoheptyl)piperidin-4-yl]propyl]piperidin-1-yl]-11-[4-[3-(1-propylpiperidin-4-yl)propyl]piperidin-1-yl]undecane-3,9-dione is sourced from PubChem (CID 157499129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).