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

C61H114N8O4 — CID 160821733

IUPAC3-[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
SMILESCCC(=O)NCCCNC(=O)CCN1CCC(CCCC2CCN(CCC(=O)CCCCCC(=O)CCN3CCC(CCCC4CCNCC4)CC3)CC2)CC1.CCN1CCC(CCCC2CCNCC2)CC1
InChIInChI=1S/C46H84N6O4.C15H30N2/c1-2-45(55)48-26-8-27-49-46(56)25-38-52-34-21-42(22-35-52)12-7-11-41-19-32-51(33-20-41)37-24-44(54)14-5-3-4-13-43(53)23-36-50-30-17-40(18-31-50)10-6-9-39-15-28-47-29-16-39;1-2-17-12-8-15(9-13-17)5-3-4-14-6-10-16-11-7-14/h39-42,47H,2-38H2,1H3,(H,48,55)(H,49,56);14-16H,2-13H2,1H3
InChIKeySFQFTCTZYLRESL-UHFFFAOYSA-N
MW1023.63 g/mol
LogP9.64
Rot. Bonds33

About 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

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 (PubChem CID 160821733) has the molecular formula C61H114N8O4 and a molecular weight of 1023.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID160821733
Molecular FormulaC61H114N8O4
Molecular Weight1023.63 g/mol
Exact Mass1022.90
IUPAC Name3-[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
SMILESCCC(=O)NCCCNC(=O)CCN1CCC(CCCC2CCN(CCC(=O)CCCCCC(=O)CCN3CCC(CCCC4CCNCC4)CC3)CC2)CC1.CCN1CCC(CCCC2CCNCC2)CC1
InChIInChI=1S/C46H84N6O4.C15H30N2/c1-2-45(55)48-26-8-27-49-46(56)25-38-52-34-21-42(22-35-52)12-7-11-41-19-32-51(33-20-41)37-24-44(54)14-5-3-4-13-43(53)23-36-50-30-17-40(18-31-50)10-6-9-39-15-28-47-29-16-39;1-2-17-12-8-15(9-13-17)5-3-4-14-6-10-16-11-7-14/h39-42,47H,2-38H2,1H3,(H,48,55)(H,49,56);14-16H,2-13H2,1H3
InChIKeySFQFTCTZYLRESL-UHFFFAOYSA-N
XLogP9.64
TPSA129.36 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds33
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.63
LogP ≤ 59.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 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
3,3-Dimethyl-1-[4-[3-[1-[3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one
CID 132059289
N-(1-azabicyclo[2.2.2]octan-3-yl)-N,2-dimethyl-3-[(5R)-5-(2-methylpropanoylamino)-1-azabicyclo[2.2.2]octan-2-yl]propanamide
CID 134565752
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
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
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-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
2-Piperidin-2-ylpropanamide
CID 158940038

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(=O)NCCCNC(=O)CCN1CCC(CCCC2CCN(CCC(=O)CCCCCC(=O)CCN3CCC(CCCC4CCNCC4)CC3)CC2)CC1.CCN1CCC(CCCC2CCNCC2)CC1.
What is the InChIKey of 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?
The InChIKey is SFQFTCTZYLRESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H84N6O4.C15H30N2/c1-2-45(55)48-26-8-27-49-46(56)25-38-52-34-21-42(22-35-52)12-7-11-41-19-32-51(33-20-41)37-24-44(54)14-5-3-4-13-43(53)23-36-50-30-17-40(18-31-50)10-6-9-39-15-28-47-29-16-39;1-2-17-12-8-15(9-13-17)5-3-4-14-6-10-16-11-7-14/h39-42,47H,2-38H2,1H3,(H,48,55)(H,49,56);14-16H,2-13H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1023.63 g/mol, XLogP of 9.64, 33 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160821733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).