(3R)-1-[(2S)-2-ethylhexanoyl]-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide

C27H40FN3O3 — CID 93013699

IUPAC(3R)-1-[(2S)-2-ethylhexanoyl]-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
SMILESCCCC[C@H](CC)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C27H40FN3O3/c1-3-5-9-19(4-2)27(34)31-17-8-10-21(18-31)26(33)30-24-12-7-6-11-23(24)29-25(32)20-13-15-22(28)16-14-20/h13-16,19,21,23-24H,3-12,17-18H2,1-2H3,(H,29,32)(H,30,33)/t19-,21+,23+,24+/m0/s1
InChIKeyDSAQGWQOTJQBAT-IVGWJTKZSA-N
MW473.63 g/mol
LogP4.44
Rot. Bonds9

About (3R)-1-[(2S)-2-ethylhexanoyl]-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide

(3R)-1-[(2S)-2-ethylhexanoyl]-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide (PubChem CID 93013699) has the molecular formula C27H40FN3O3 and a molecular weight of 473.63 g/mol. Its IUPAC name is (3R)-1-[(2S)-2-ethylhexanoyl]-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2S)-2-ethylhexanoyl]-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
PubChem CID93013699
Molecular FormulaC27H40FN3O3
Molecular Weight473.63 g/mol
Exact Mass473.31
IUPAC Name(3R)-1-[(2S)-2-ethylhexanoyl]-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
SMILESCCCC[C@H](CC)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C27H40FN3O3/c1-3-5-9-19(4-2)27(34)31-17-8-10-21(18-31)26(33)30-24-12-7-6-11-23(24)29-25(32)20-13-15-22(28)16-14-20/h13-16,19,21,23-24H,3-12,17-18H2,1-2H3,(H,29,32)(H,30,33)/t19-,21+,23+,24+/m0/s1
InChIKeyDSAQGWQOTJQBAT-IVGWJTKZSA-N
XLogP4.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.63
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[(2S)-2-ethylhexanoyl]-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-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

(3R)-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]-1-heptanoylpiperidine-3-carboxamide
CID 93013723
(3S)-1-(2-fluorobenzoyl)-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013704
4-fluoro-N-[2-[(4-fluorobenzoyl)amino]cyclohexyl]benzamide
CID 2912791
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-chloropropanoyl)piperidine-3-carboxamide
CID 51070988
(3R)-N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-chloropropanoyl)piperidine-3-carboxamide
CID 93013544
N-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 51071660
N-[(1R,2R)-2-benzamidocyclohexyl]-1-octylsulfonylpiperidine-3-carboxamide
CID 51070997
N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-3-carboxamide
CID 51071241
(3S)-1-butanoyl-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013762
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
(3R)-N-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide
CID 98418316

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-2-ethylhexanoyl]-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2S)-2-ethylhexanoyl]-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide (CID 93013699) is (3R)-1-[(2S)-2-ethylhexanoyl]-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2S)-2-ethylhexanoyl]-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2S)-2-ethylhexanoyl]-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide is CCCC[C@H](CC)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-[(2S)-2-ethylhexanoyl]-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide?
The InChIKey is DSAQGWQOTJQBAT-IVGWJTKZSA-N. The full InChI is InChI=1S/C27H40FN3O3/c1-3-5-9-19(4-2)27(34)31-17-8-10-21(18-31)26(33)30-24-12-7-6-11-23(24)29-25(32)20-13-15-22(28)16-14-20/h13-16,19,21,23-24H,3-12,17-18H2,1-2H3,(H,29,32)(H,30,33)/t19-,21+,23+,24+/m0/s1.
What are the key properties of (3R)-1-[(2S)-2-ethylhexanoyl]-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide?
(3R)-1-[(2S)-2-ethylhexanoyl]-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide has a molecular weight of 473.63 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-2-ethylhexanoyl]-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide is sourced from PubChem (CID 93013699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).