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

C26H29F2N3O3 — CID 93013704

IUPAC(3S)-1-(2-fluorobenzoyl)-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2F)C1)c1ccc(F)cc1
InChIInChI=1S/C26H29F2N3O3/c27-19-13-11-17(12-14-19)24(32)29-22-9-3-4-10-23(22)30-25(33)18-6-5-15-31(16-18)26(34)20-7-1-2-8-21(20)28/h1-2,7-8,11-14,18,22-23H,3-6,9-10,15-16H2,(H,29,32)(H,30,33)/t18-,22+,23+/m0/s1
InChIKeyBEESRJGNZWQMQC-CDNPAEQRSA-N
MW469.53 g/mol
LogP3.67
Rot. Bonds5

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

(3S)-1-(2-fluorobenzoyl)-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide (PubChem CID 93013704) has the molecular formula C26H29F2N3O3 and a molecular weight of 469.53 g/mol. Its IUPAC name is (3S)-1-(2-fluorobenzoyl)-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-fluorobenzoyl)-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
PubChem CID93013704
Molecular FormulaC26H29F2N3O3
Molecular Weight469.53 g/mol
Exact Mass469.22
IUPAC Name(3S)-1-(2-fluorobenzoyl)-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2F)C1)c1ccc(F)cc1
InChIInChI=1S/C26H29F2N3O3/c27-19-13-11-17(12-14-19)24(32)29-22-9-3-4-10-23(22)30-25(33)18-6-5-15-31(16-18)26(34)20-7-1-2-8-21(20)28/h1-2,7-8,11-14,18,22-23H,3-6,9-10,15-16H2,(H,29,32)(H,30,33)/t18-,22+,23+/m0/s1
InChIKeyBEESRJGNZWQMQC-CDNPAEQRSA-N
XLogP3.67
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.53
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 50804043
(3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94082445
(3R)-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]-1-heptanoylpiperidine-3-carboxamide
CID 93013723
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
(3R)-1-[(2S)-2-ethylhexanoyl]-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013699
(3R)-1-(2-bromobenzoyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013816
(2-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone
CID 90608763
N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345
(3R)-1-(3,4-dichlorobenzoyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013796
(3R)-N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-chloropropanoyl)piperidine-3-carboxamide
CID 93013544
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-chloropropanoyl)piperidine-3-carboxamide
CID 51070988
4-fluoro-N-[2-[(4-fluorobenzoyl)amino]cyclohexyl]benzamide
CID 2912791

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-fluorobenzoyl)-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-fluorobenzoyl)-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide (CID 93013704) is (3S)-1-(2-fluorobenzoyl)-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-fluorobenzoyl)-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-fluorobenzoyl)-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2F)C1)c1ccc(F)cc1.
What is the InChIKey of (3S)-1-(2-fluorobenzoyl)-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide?
The InChIKey is BEESRJGNZWQMQC-CDNPAEQRSA-N. The full InChI is InChI=1S/C26H29F2N3O3/c27-19-13-11-17(12-14-19)24(32)29-22-9-3-4-10-23(22)30-25(33)18-6-5-15-31(16-18)26(34)20-7-1-2-8-21(20)28/h1-2,7-8,11-14,18,22-23H,3-6,9-10,15-16H2,(H,29,32)(H,30,33)/t18-,22+,23+/m0/s1.
What are the key properties of (3S)-1-(2-fluorobenzoyl)-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide?
(3S)-1-(2-fluorobenzoyl)-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide has a molecular weight of 469.53 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-fluorobenzoyl)-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide is sourced from PubChem (CID 93013704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).