(3R)-1-(2-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide

C20H20ClFN2O2 — CID 94082374

IUPAC(3R)-1-(2-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1
InChIInChI=1S/C20H20ClFN2O2/c21-18-9-2-1-8-17(18)20(26)24-10-4-6-15(13-24)19(25)23-12-14-5-3-7-16(22)11-14/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,23,25)/t15-/m1/s1
InChIKeyVCKUYKYFEZGEAC-OAHLLOKOSA-N
MW374.84 g/mol
LogP3.65
Rot. Bonds4

About (3R)-1-(2-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide

(3R)-1-(2-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 94082374) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is (3R)-1-(2-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID94082374
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC Name(3R)-1-(2-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1
InChIInChI=1S/C20H20ClFN2O2/c21-18-9-2-1-8-17(18)20(26)24-10-4-6-15(13-24)19(25)23-12-14-5-3-7-16(22)11-14/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,23,25)/t15-/m1/s1
InChIKeyVCKUYKYFEZGEAC-OAHLLOKOSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 50804467
(3R)-N-[(3-bromophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 94082488
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
5-[(3S)-3-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92890734
(3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94082332
(3S)-1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94785162
(3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082337
5-[3-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50787281
1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 53203235
1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010
1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 136524441

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide (CID 94082374) is (3R)-1-(2-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide is O=C(NCc1cccc(F)c1)[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1.
What is the InChIKey of (3R)-1-(2-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is VCKUYKYFEZGEAC-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c21-18-9-2-1-8-17(18)20(26)24-10-4-6-15(13-24)19(25)23-12-14-5-3-7-16(22)11-14/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,23,25)/t15-/m1/s1.
What are the key properties of (3R)-1-(2-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
(3R)-1-(2-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 374.84 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 94082374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).