N-[(1S)-1-cyclohexylethyl]-4-propylpiperidine-4-carboxamide

C17H32N2O — CID 81385508

IUPACN-[(1S)-1-cyclohexylethyl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)N[C@@H](C)C2CCCCC2)CCNCC1
InChIInChI=1S/C17H32N2O/c1-3-9-17(10-12-18-13-11-17)16(20)19-14(2)15-7-5-4-6-8-15/h14-15,18H,3-13H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyVXDLWVOAQOSVOX-AWEZNQCLSA-N
MW280.46 g/mol
LogP3.24
Rot. Bonds5

About N-[(1S)-1-cyclohexylethyl]-4-propylpiperidine-4-carboxamide

N-[(1S)-1-cyclohexylethyl]-4-propylpiperidine-4-carboxamide (PubChem CID 81385508) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-4-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-4-propylpiperidine-4-carboxamide
PubChem CID81385508
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[(1S)-1-cyclohexylethyl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)N[C@@H](C)C2CCCCC2)CCNCC1
InChIInChI=1S/C17H32N2O/c1-3-9-17(10-12-18-13-11-17)16(20)19-14(2)15-7-5-4-6-8-15/h14-15,18H,3-13H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyVXDLWVOAQOSVOX-AWEZNQCLSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-cyclohexylethyl]-4-ethylpiperidine-4-carboxamide
CID 81385512
N-[(1S)-1-cyclopentylethyl]-4-ethylpiperidine-4-carboxamide
CID 81390475
N-[(1R)-1-cycloheptylethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81391921
N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide
CID 63127682
3-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
CID 63128810
N-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxamide
CID 55178364
5-[(4-propylpiperidine-4-carbonyl)amino]hexanoic acid
CID 82846529
1-(aminomethyl)-N-(1-cyclohexylethyl)cyclopropane-1-carboxamide
CID 80587607
1-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclopropane-1-carboxamide
CID 115453569
1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
CID 94432129
N-[(1R)-1-cyclopentylethyl]-3-methylpyrrolidine-3-carboxamide
CID 81388379
N-[1-(diethylamino)-1-oxopropan-2-yl]-4-propylpiperidine-4-carboxamide
CID 63128141

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-4-propylpiperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-4-propylpiperidine-4-carboxamide (CID 81385508) is N-[(1S)-1-cyclohexylethyl]-4-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-4-propylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-4-propylpiperidine-4-carboxamide is CCCC1(C(=O)N[C@@H](C)C2CCCCC2)CCNCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-4-propylpiperidine-4-carboxamide?
The InChIKey is VXDLWVOAQOSVOX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-9-17(10-12-18-13-11-17)16(20)19-14(2)15-7-5-4-6-8-15/h14-15,18H,3-13H2,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-4-propylpiperidine-4-carboxamide?
N-[(1S)-1-cyclohexylethyl]-4-propylpiperidine-4-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-4-propylpiperidine-4-carboxamide is sourced from PubChem (CID 81385508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).