N-(10-acetamidodecyl)-3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanamide

C28H54N4O2 — CID 101463324

IUPACN-(10-acetamidodecyl)-3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanamide
SMILESCC(=O)NCCCCCCCCCCNC(=O)CCN1CCC(CCCC2CCNCC2)CC1
InChIInChI=1S/C28H54N4O2/c1-25(33)30-18-8-6-4-2-3-5-7-9-19-31-28(34)17-24-32-22-15-27(16-23-32)12-10-11-26-13-20-29-21-14-26/h26-27,29H,2-24H2,1H3,(H,30,33)(H,31,34)
InChIKeyIBFCCQLGRGRJKR-UHFFFAOYSA-N
MW478.77 g/mol
LogP4.63
Rot. Bonds18

About N-(10-acetamidodecyl)-3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanamide

N-(10-acetamidodecyl)-3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanamide (PubChem CID 101463324) has the molecular formula C28H54N4O2 and a molecular weight of 478.77 g/mol. Its IUPAC name is N-(10-acetamidodecyl)-3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(10-acetamidodecyl)-3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanamide
PubChem CID101463324
Molecular FormulaC28H54N4O2
Molecular Weight478.77 g/mol
Exact Mass478.42
IUPAC NameN-(10-acetamidodecyl)-3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanamide
SMILESCC(=O)NCCCCCCCCCCNC(=O)CCN1CCC(CCCC2CCNCC2)CC1
InChIInChI=1S/C28H54N4O2/c1-25(33)30-18-8-6-4-2-3-5-7-9-19-31-28(34)17-24-32-22-15-27(16-23-32)12-10-11-26-13-20-29-21-14-26/h26-27,29H,2-24H2,1H3,(H,30,33)(H,31,34)
InChIKeyIBFCCQLGRGRJKR-UHFFFAOYSA-N
XLogP4.63
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.77
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-aminoethenylamino)propyl]-3-[4-[3-[1-[3-[3-(1-aminoethenylamino)propylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide
CID 121306066
N-(2-piperidin-4-ylethyl)acetamide;hydrochloride
CID 70084913
4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one
CID 59793355
N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide
CID 102736385
N-[[1-(2-piperazin-1-ylethyl)piperidin-4-yl]methyl]acetamide
CID 102736381
N-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide
CID 106841935
3-(4-methylpiperidin-1-yl)-N-[10-(4-methylpiperidin-1-yl)-8-oxodecyl]propanamide
CID 165007896
N-[[1-(3-hydrazinyl-3-oxopropyl)piperidin-4-yl]methyl]acetamide
CID 102737013
1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine
CID 123314475
3-[4-[3-[1-[3-[2-(3-methylbutylamino)ethylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide
CID 167209945
N-(3-aminopropyl)-3-piperidin-4-ylpropanamide
CID 62211796
N-(3-methoxypropyl)-3-piperazin-1-ylpropanamide
CID 28807760

Frequently Asked Questions

What is the IUPAC name of N-(10-acetamidodecyl)-3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(10-acetamidodecyl)-3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanamide (CID 101463324) is N-(10-acetamidodecyl)-3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(10-acetamidodecyl)-3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(10-acetamidodecyl)-3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanamide is CC(=O)NCCCCCCCCCCNC(=O)CCN1CCC(CCCC2CCNCC2)CC1.
What is the InChIKey of N-(10-acetamidodecyl)-3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanamide?
The InChIKey is IBFCCQLGRGRJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N4O2/c1-25(33)30-18-8-6-4-2-3-5-7-9-19-31-28(34)17-24-32-22-15-27(16-23-32)12-10-11-26-13-20-29-21-14-26/h26-27,29H,2-24H2,1H3,(H,30,33)(H,31,34).
What are the key properties of N-(10-acetamidodecyl)-3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanamide?
N-(10-acetamidodecyl)-3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanamide has a molecular weight of 478.77 g/mol, XLogP of 4.63, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-acetamidodecyl)-3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 101463324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).