(3S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide

C20H18ClF3N2O3 — CID 25394612

IUPAC(3S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H18ClF3N2O3/c21-16-10-15(7-8-17(16)29-20(23)24)25-18(27)13-2-1-9-26(11-13)19(28)12-3-5-14(22)6-4-12/h3-8,10,13,20H,1-2,9,11H2,(H,25,27)/t13-/m0/s1
InChIKeyXLNPGPMFSCRBEY-ZDUSSCGKSA-N
MW426.82 g/mol
LogP4.57
Rot. Bonds5

About (3S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide

(3S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide (PubChem CID 25394612) has the molecular formula C20H18ClF3N2O3 and a molecular weight of 426.82 g/mol. Its IUPAC name is (3S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
PubChem CID25394612
Molecular FormulaC20H18ClF3N2O3
Molecular Weight426.82 g/mol
Exact Mass426.10
IUPAC Name(3S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H18ClF3N2O3/c21-16-10-15(7-8-17(16)29-20(23)24)25-18(27)13-2-1-9-26(11-13)19(28)12-3-5-14(22)6-4-12/h3-8,10,13,20H,1-2,9,11H2,(H,25,27)/t13-/m0/s1
InChIKeyXLNPGPMFSCRBEY-ZDUSSCGKSA-N
XLogP4.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.82
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2H-benzotriazol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 166220457
N-(2-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272015
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46449131
(3S)-N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51562316
N-(3-chloro-4-fluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948189
N-(3-cyanophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51271965
1-(4-fluorobenzoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide
CID 55462008
N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119676762
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 4876797
N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46650461
N-(3-chloro-4-methoxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344299

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide (CID 25394612) is (3S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide is O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (3S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is XLNPGPMFSCRBEY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18ClF3N2O3/c21-16-10-15(7-8-17(16)29-20(23)24)25-18(27)13-2-1-9-26(11-13)19(28)12-3-5-14(22)6-4-12/h3-8,10,13,20H,1-2,9,11H2,(H,25,27)/t13-/m0/s1.
What are the key properties of (3S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
(3S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 426.82 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 25394612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).