4-cyano-4-(3-cyclohexylpropanoylamino)-1-methylpiperidine-3-carboxamide

C17H28N4O2 — CID 22063209

IUPAC4-cyano-4-(3-cyclohexylpropanoylamino)-1-methylpiperidine-3-carboxamide
SMILESCN1CCC(C#N)(NC(=O)CCC2CCCCC2)C(C(N)=O)C1
InChIInChI=1S/C17H28N4O2/c1-21-10-9-17(12-18,14(11-21)16(19)23)20-15(22)8-7-13-5-3-2-4-6-13/h13-14H,2-11H2,1H3,(H2,19,23)(H,20,22)
InChIKeyUHKXEVVHPWHWPF-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.16
Rot. Bonds5

About 4-cyano-4-(3-cyclohexylpropanoylamino)-1-methylpiperidine-3-carboxamide

4-cyano-4-(3-cyclohexylpropanoylamino)-1-methylpiperidine-3-carboxamide (PubChem CID 22063209) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-cyano-4-(3-cyclohexylpropanoylamino)-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name4-cyano-4-(3-cyclohexylpropanoylamino)-1-methylpiperidine-3-carboxamide
PubChem CID22063209
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name4-cyano-4-(3-cyclohexylpropanoylamino)-1-methylpiperidine-3-carboxamide
SMILESCN1CCC(C#N)(NC(=O)CCC2CCCCC2)C(C(N)=O)C1
InChIInChI=1S/C17H28N4O2/c1-21-10-9-17(12-18,14(11-21)16(19)23)20-15(22)8-7-13-5-3-2-4-6-13/h13-14H,2-11H2,1H3,(H2,19,23)(H,20,22)
InChIKeyUHKXEVVHPWHWPF-UHFFFAOYSA-N
XLogP1.16
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-cyano-3-(3-cyclohexylpropanoylamino)pyrrolidin-1-yl]-4-methylpent-3-enamide
CID 173167362
1-[3-[(3S)-1-methylpiperidin-3-yl]propanoylamino]cyclopentane-1-carboxylic acid
CID 125438462
3-cyclohexyl-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115764878
1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid
CID 43329530
3-cyclohexyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62519861
3-cyclohexyl-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62517314
N-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide
CID 63930209
3-cyclohexyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
CID 62527693
N-(2-amino-2-oxoethyl)-3-cyclopentylpropanamide
CID 60668206
N-[1-[(4-cyano-1,3-dimethylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 22260549
2-(3-cyclohexylpropanoylamino)propanediamide
CID 47149965
(3-cyclohexylpropanoylamino)thiourea
CID 65214782

Frequently Asked Questions

What is the IUPAC name of 4-cyano-4-(3-cyclohexylpropanoylamino)-1-methylpiperidine-3-carboxamide?
The IUPAC name of 4-cyano-4-(3-cyclohexylpropanoylamino)-1-methylpiperidine-3-carboxamide (CID 22063209) is 4-cyano-4-(3-cyclohexylpropanoylamino)-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for 4-cyano-4-(3-cyclohexylpropanoylamino)-1-methylpiperidine-3-carboxamide?
The canonical SMILES for 4-cyano-4-(3-cyclohexylpropanoylamino)-1-methylpiperidine-3-carboxamide is CN1CCC(C#N)(NC(=O)CCC2CCCCC2)C(C(N)=O)C1.
What is the InChIKey of 4-cyano-4-(3-cyclohexylpropanoylamino)-1-methylpiperidine-3-carboxamide?
The InChIKey is UHKXEVVHPWHWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-21-10-9-17(12-18,14(11-21)16(19)23)20-15(22)8-7-13-5-3-2-4-6-13/h13-14H,2-11H2,1H3,(H2,19,23)(H,20,22).
What are the key properties of 4-cyano-4-(3-cyclohexylpropanoylamino)-1-methylpiperidine-3-carboxamide?
4-cyano-4-(3-cyclohexylpropanoylamino)-1-methylpiperidine-3-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-4-(3-cyclohexylpropanoylamino)-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 22063209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).