1-(4-chlorobenzoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxamide

C21H21ClF2N2O3 — CID 46684487

IUPAC1-(4-chlorobenzoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H21ClF2N2O3/c22-17-7-5-15(6-8-17)20(28)26-11-1-2-16(13-26)19(27)25-12-14-3-9-18(10-4-14)29-21(23)24/h3-10,16,21H,1-2,11-13H2,(H,25,27)
InChIKeyOIPCNNOBDRRKBZ-UHFFFAOYSA-N
MW422.86 g/mol
LogP4.11
Rot. Bonds6

About 1-(4-chlorobenzoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 46684487) has the molecular formula C21H21ClF2N2O3 and a molecular weight of 422.86 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
PubChem CID46684487
Molecular FormulaC21H21ClF2N2O3
Molecular Weight422.86 g/mol
Exact Mass422.12
IUPAC Name1-(4-chlorobenzoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H21ClF2N2O3/c22-17-7-5-15(6-8-17)20(28)26-11-1-2-16(13-26)19(27)25-12-14-3-9-18(10-4-14)29-21(23)24/h3-10,16,21H,1-2,11-13H2,(H,25,27)
InChIKeyOIPCNNOBDRRKBZ-UHFFFAOYSA-N
XLogP4.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.86
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
1-(4-chlorobenzoyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24549508
1-(4-chlorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 55708364
(3R)-1-(3,4-difluorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082606
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 4876339
1-(4-fluorobenzoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55454977
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 26253365
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
1-(4-fluorobenzoyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 55657080
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119548062
N-[(4-chlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46556728

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxamide (CID 46684487) is 1-(4-chlorobenzoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1ccc(OC(F)F)cc1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is OIPCNNOBDRRKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF2N2O3/c22-17-7-5-15(6-8-17)20(28)26-11-1-2-16(13-26)19(27)25-12-14-3-9-18(10-4-14)29-21(23)24/h3-10,16,21H,1-2,11-13H2,(H,25,27).
What are the key properties of 1-(4-chlorobenzoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 422.86 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 46684487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).