1-(2-phenylcyclohexyl)-4-(propan-2-ylamino)piperidine-4-carboxamide

C21H33N3O — CID 69486342

IUPAC1-(2-phenylcyclohexyl)-4-(propan-2-ylamino)piperidine-4-carboxamide
SMILESCC(C)NC1(C(N)=O)CCN(C2CCCCC2c2ccccc2)CC1
InChIInChI=1S/C21H33N3O/c1-16(2)23-21(20(22)25)12-14-24(15-13-21)19-11-7-6-10-18(19)17-8-4-3-5-9-17/h3-5,8-9,16,18-19,23H,6-7,10-15H2,1-2H3,(H2,22,25)
InChIKeyCDVYQDSOSAAXFZ-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.03
Rot. Bonds5

About 1-(2-phenylcyclohexyl)-4-(propan-2-ylamino)piperidine-4-carboxamide

1-(2-phenylcyclohexyl)-4-(propan-2-ylamino)piperidine-4-carboxamide (PubChem CID 69486342) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is 1-(2-phenylcyclohexyl)-4-(propan-2-ylamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-phenylcyclohexyl)-4-(propan-2-ylamino)piperidine-4-carboxamide
PubChem CID69486342
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name1-(2-phenylcyclohexyl)-4-(propan-2-ylamino)piperidine-4-carboxamide
SMILESCC(C)NC1(C(N)=O)CCN(C2CCCCC2c2ccccc2)CC1
InChIInChI=1S/C21H33N3O/c1-16(2)23-21(20(22)25)12-14-24(15-13-21)19-11-7-6-10-18(19)17-8-4-3-5-9-17/h3-5,8-9,16,18-19,23H,6-7,10-15H2,1-2H3,(H2,22,25)
InChIKeyCDVYQDSOSAAXFZ-UHFFFAOYSA-N
XLogP3.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-phenylcyclohexyl)-4-(propan-2-ylamino)piperidine-4-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-[(1R,2R)-2-phenylcyclohexyl]-4-(propan-2-ylamino)piperidine-4-carbonitrile
CID 69487621
4-amino-N-methyl-1-[(2S)-2-phenylcyclohexyl]piperidine-4-carboxamide
CID 163920403
2-[4-(ethylamino)-1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 174514506
1-(2-nitrophenyl)-4-(propan-2-ylamino)piperidine-4-carboxamide
CID 71098367
N-methyl-1-(2-phenylcyclohexyl)pyrrolidin-3-amine
CID 105402237
1-(cyclopropylmethyl)-8-[(1R,2R)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 69486557
tert-butyl 2-(2-phenylcyclohexyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 167141572
4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide
CID 65075738
N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide
CID 91480833
1-(4-methylphenyl)-8-[(1R,2R)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 69486898
2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91172689
1-(2-phenylcyclohexyl)piperidin-3-amine
CID 105402048

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylcyclohexyl)-4-(propan-2-ylamino)piperidine-4-carboxamide?
The IUPAC name of 1-(2-phenylcyclohexyl)-4-(propan-2-ylamino)piperidine-4-carboxamide (CID 69486342) is 1-(2-phenylcyclohexyl)-4-(propan-2-ylamino)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-phenylcyclohexyl)-4-(propan-2-ylamino)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-phenylcyclohexyl)-4-(propan-2-ylamino)piperidine-4-carboxamide is CC(C)NC1(C(N)=O)CCN(C2CCCCC2c2ccccc2)CC1.
What is the InChIKey of 1-(2-phenylcyclohexyl)-4-(propan-2-ylamino)piperidine-4-carboxamide?
The InChIKey is CDVYQDSOSAAXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-16(2)23-21(20(22)25)12-14-24(15-13-21)19-11-7-6-10-18(19)17-8-4-3-5-9-17/h3-5,8-9,16,18-19,23H,6-7,10-15H2,1-2H3,(H2,22,25).
What are the key properties of 1-(2-phenylcyclohexyl)-4-(propan-2-ylamino)piperidine-4-carboxamide?
1-(2-phenylcyclohexyl)-4-(propan-2-ylamino)piperidine-4-carboxamide has a molecular weight of 343.51 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylcyclohexyl)-4-(propan-2-ylamino)piperidine-4-carboxamide is sourced from PubChem (CID 69486342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).