3-acetamido-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide

C17H31N3O2 — CID 45207648

IUPAC3-acetamido-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide
SMILESCC(=O)NCCC(=O)NC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C17H31N3O2/c1-14(21)18-10-9-17(22)19-16-8-5-11-20(13-16)12-15-6-3-2-4-7-15/h15-16H,2-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyZPCYMZUZMOHWEL-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.67
Rot. Bonds6

About 3-acetamido-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide

3-acetamido-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide (PubChem CID 45207648) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 3-acetamido-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide
PubChem CID45207648
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name3-acetamido-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide
SMILESCC(=O)NCCC(=O)NC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C17H31N3O2/c1-14(21)18-10-9-17(22)19-16-8-5-11-20(13-16)12-15-6-3-2-4-7-15/h15-16H,2-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyZPCYMZUZMOHWEL-UHFFFAOYSA-N
XLogP1.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(S)-Amino-4-(cyclohexylmethyl-amino)-1-piperidin-1-yl-butan-1-one
CID 11266019
(6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione
CID 16745886
(6S)-1,6-bis(cyclohexylmethyl)piperazine-2,3-dione
CID 23641167
(6S)-1-butyl-6-(cyclohexylmethyl)piperazine-2,3-dione
CID 53299358
N-cyclohexyl-3-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanamide
CID 49855133
Pentanamide, N-(1-(1-oxo-2-propylpentyl)-4-piperidinyl)-2-propyl-
CID 3075854
4-methyl-N-(3-methyl-1-{[2-(4-methylpiperidin-1-yl)ethyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3243893
N-[3-(2-ethylpiperidin-1-yl)propyl]-N~2~-[(4-methylcyclohexyl)carbonyl]isoleucinamide
CID 16187988
(6R)-6-butyl-1-(4-cyclohexylbutyl)piperazine-2,3-dione
CID 53299353
N-[(2S)-4-(4-methylpiperazin-1-yl)-1-oxo-1-(propan-2-ylamino)butan-2-yl]cyclohexanecarboxamide
CID 126601789
1-{1,4-Diazaspiro[5.5]undecan-1-yl}ethan-1-one
CID 64975321
N-(4-methylcyclohexyl)-2-(piperazin-1-yl)acetamide
CID 22762711

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide?
The IUPAC name of 3-acetamido-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide (CID 45207648) is 3-acetamido-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-acetamido-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-acetamido-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide is CC(=O)NCCC(=O)NC1CCCN(CC2CCCCC2)C1.
What is the InChIKey of 3-acetamido-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide?
The InChIKey is ZPCYMZUZMOHWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-14(21)18-10-9-17(22)19-16-8-5-11-20(13-16)12-15-6-3-2-4-7-15/h15-16H,2-13H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 3-acetamido-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide?
3-acetamido-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide has a molecular weight of 309.45 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45207648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).