1-(4-chlorobenzoyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide

C26H26ClN3O3 — CID 55709282

IUPAC1-(4-chlorobenzoyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(OCc2ccccn2)c1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C26H26ClN3O3/c27-22-11-9-20(10-12-22)26(32)30-14-4-6-21(17-30)25(31)29-16-19-5-3-8-24(15-19)33-18-23-7-1-2-13-28-23/h1-3,5,7-13,15,21H,4,6,14,16-18H2,(H,29,31)
InChIKeyIIBPRBMBGFZRBU-UHFFFAOYSA-N
MW463.97 g/mol
LogP4.48
Rot. Bonds7

About 1-(4-chlorobenzoyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 55709282) has the molecular formula C26H26ClN3O3 and a molecular weight of 463.97 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
PubChem CID55709282
Molecular FormulaC26H26ClN3O3
Molecular Weight463.97 g/mol
Exact Mass463.17
IUPAC Name1-(4-chlorobenzoyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(OCc2ccccn2)c1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C26H26ClN3O3/c27-22-11-9-20(10-12-22)26(32)30-14-4-6-21(17-30)25(31)29-16-19-5-3-8-24(15-19)33-18-23-7-1-2-13-28-23/h1-3,5,7-13,15,21H,4,6,14,16-18H2,(H,29,31)
InChIKeyIIBPRBMBGFZRBU-UHFFFAOYSA-N
XLogP4.48
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
(3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 97153155
1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 55794251
1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 3472038
N-[3-(pyridin-2-ylmethoxy)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 47045194
1-pyrazin-2-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 55712011
[(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 124575554
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 4876339
1-(4-chlorobenzoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 46684487
(3S)-1-(4-chlorobenzoyl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide
CID 95768953
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78875900
(3S)-1-[3-[(4-chlorophenyl)methoxy]benzoyl]piperidine-3-carboxylic acid
CID 119173769

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide (CID 55709282) is 1-(4-chlorobenzoyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1cccc(OCc2ccccn2)c1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is IIBPRBMBGFZRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O3/c27-22-11-9-20(10-12-22)26(32)30-14-4-6-21(17-30)25(31)29-16-19-5-3-8-24(15-19)33-18-23-7-1-2-13-28-23/h1-3,5,7-13,15,21H,4,6,14,16-18H2,(H,29,31).
What are the key properties of 1-(4-chlorobenzoyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 463.97 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 55709282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).