1-[(1S,2S)-2-phenylcyclohexyl]-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide

C21H30F3N3O — CID 58820523

IUPAC1-[(1S,2S)-2-phenylcyclohexyl]-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide
SMILESNC(=O)C1(NCCC(F)(F)F)CCN([C@H]2CCCC[C@H]2c2ccccc2)CC1
InChIInChI=1S/C21H30F3N3O/c22-21(23,24)10-13-26-20(19(25)28)11-14-27(15-12-20)18-9-5-4-8-17(18)16-6-2-1-3-7-16/h1-3,6-7,17-18,26H,4-5,8-15H2,(H2,25,28)/t17-,18-/m0/s1
InChIKeySNCIZCAASDQXDQ-ROUUACIJSA-N
MW397.49 g/mol
LogP3.57
Rot. Bonds6

About 1-[(1S,2S)-2-phenylcyclohexyl]-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide

1-[(1S,2S)-2-phenylcyclohexyl]-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide (PubChem CID 58820523) has the molecular formula C21H30F3N3O and a molecular weight of 397.49 g/mol. Its IUPAC name is 1-[(1S,2S)-2-phenylcyclohexyl]-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1S,2S)-2-phenylcyclohexyl]-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide
PubChem CID58820523
Molecular FormulaC21H30F3N3O
Molecular Weight397.49 g/mol
Exact Mass397.23
IUPAC Name1-[(1S,2S)-2-phenylcyclohexyl]-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide
SMILESNC(=O)C1(NCCC(F)(F)F)CCN([C@H]2CCCC[C@H]2c2ccccc2)CC1
InChIInChI=1S/C21H30F3N3O/c22-21(23,24)10-13-26-20(19(25)28)11-14-27(15-12-20)18-9-5-4-8-17(18)16-6-2-1-3-7-16/h1-3,6-7,17-18,26H,4-5,8-15H2,(H2,25,28)/t17-,18-/m0/s1
InChIKeySNCIZCAASDQXDQ-ROUUACIJSA-N
XLogP3.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1S,2S)-2-phenylcyclohexyl]-4-(3,3,3-trifluoropropylamino)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

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-phenylcyclohexyl]-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide?
The IUPAC name of 1-[(1S,2S)-2-phenylcyclohexyl]-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide (CID 58820523) is 1-[(1S,2S)-2-phenylcyclohexyl]-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1S,2S)-2-phenylcyclohexyl]-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide?
The canonical SMILES for 1-[(1S,2S)-2-phenylcyclohexyl]-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide is NC(=O)C1(NCCC(F)(F)F)CCN([C@H]2CCCC[C@H]2c2ccccc2)CC1.
What is the InChIKey of 1-[(1S,2S)-2-phenylcyclohexyl]-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide?
The InChIKey is SNCIZCAASDQXDQ-ROUUACIJSA-N. The full InChI is InChI=1S/C21H30F3N3O/c22-21(23,24)10-13-26-20(19(25)28)11-14-27(15-12-20)18-9-5-4-8-17(18)16-6-2-1-3-7-16/h1-3,6-7,17-18,26H,4-5,8-15H2,(H2,25,28)/t17-,18-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-phenylcyclohexyl]-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide?
1-[(1S,2S)-2-phenylcyclohexyl]-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide has a molecular weight of 397.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-phenylcyclohexyl]-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide is sourced from PubChem (CID 58820523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).