N-cyclohexyl-4-[2-(3-methylbutanoylamino)ethyl]piperidine-1-carboxamide

C19H35N3O2 — CID 46381879

IUPACN-cyclohexyl-4-[2-(3-methylbutanoylamino)ethyl]piperidine-1-carboxamide
SMILESCC(C)CC(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C19H35N3O2/c1-15(2)14-18(23)20-11-8-16-9-12-22(13-10-16)19(24)21-17-6-4-3-5-7-17/h15-17H,3-14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyTWLOWTIJAACWSM-UHFFFAOYSA-N
MW337.51 g/mol
LogP3.29
Rot. Bonds6

About N-cyclohexyl-4-[2-(3-methylbutanoylamino)ethyl]piperidine-1-carboxamide

N-cyclohexyl-4-[2-(3-methylbutanoylamino)ethyl]piperidine-1-carboxamide (PubChem CID 46381879) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-(3-methylbutanoylamino)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-(3-methylbutanoylamino)ethyl]piperidine-1-carboxamide
PubChem CID46381879
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC NameN-cyclohexyl-4-[2-(3-methylbutanoylamino)ethyl]piperidine-1-carboxamide
SMILESCC(C)CC(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C19H35N3O2/c1-15(2)14-18(23)20-11-8-16-9-12-22(13-10-16)19(24)21-17-6-4-3-5-7-17/h15-17H,3-14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyTWLOWTIJAACWSM-UHFFFAOYSA-N
XLogP3.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-4-[2-(3-methylbutanoylamino)ethyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Cyclohexyl-3-(1-propionylpiperidin-4-yl)urea
CID 47379736
N~1~-cyclohexyl-1,3-piperidinedicarboxamide
CID 2947158
1-Cycloheptyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea
CID 71678007
1-(4-Ethylcyclohexyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea
CID 118712048
1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 3222855
3-(1-Acetylpiperidin-4-YL)-1-cyclohexylurea
CID 25070135
1-Cyclohexyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea
CID 71678006
1-Cyclohexyl-5-ethylbarbituric acid
CID 13276
Piperidine-1,3-dicarboxylic acid 1-cyclohexylamide 3-cyclohexylmethyl-amide
CID 648462
Piperidine-1,3-dicarboxylic acid 3-sec-butylamide 1-cyclohexylamide
CID 3222852
N~4~-isopropyl-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide
CID 3235986
N~4~-cyclooctyl-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide
CID 3236588

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-(3-methylbutanoylamino)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-(3-methylbutanoylamino)ethyl]piperidine-1-carboxamide (CID 46381879) is N-cyclohexyl-4-[2-(3-methylbutanoylamino)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-(3-methylbutanoylamino)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-(3-methylbutanoylamino)ethyl]piperidine-1-carboxamide is CC(C)CC(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[2-(3-methylbutanoylamino)ethyl]piperidine-1-carboxamide?
The InChIKey is TWLOWTIJAACWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-15(2)14-18(23)20-11-8-16-9-12-22(13-10-16)19(24)21-17-6-4-3-5-7-17/h15-17H,3-14H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-cyclohexyl-4-[2-(3-methylbutanoylamino)ethyl]piperidine-1-carboxamide?
N-cyclohexyl-4-[2-(3-methylbutanoylamino)ethyl]piperidine-1-carboxamide has a molecular weight of 337.51 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-(3-methylbutanoylamino)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 46381879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).