1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide

C21H24N2O4 — CID 18124202

IUPAC1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide
SMILESCOc1cccc(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)c1OC
InChIInChI=1S/C21H24N2O4/c1-26-18-12-6-11-17(19(18)27-2)21(25)23-13-7-8-15(14-23)20(24)22-16-9-4-3-5-10-16/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H,22,24)
InChIKeyYYAATQWGGBQOIG-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.19
Rot. Bonds5

About 1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide

1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide (PubChem CID 18124202) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide
PubChem CID18124202
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide
SMILESCOc1cccc(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)c1OC
InChIInChI=1S/C21H24N2O4/c1-26-18-12-6-11-17(19(18)27-2)21(25)23-13-7-8-15(14-23)20(24)22-16-9-4-3-5-10-16/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H,22,24)
InChIKeyYYAATQWGGBQOIG-UHFFFAOYSA-N
XLogP3.19
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-methoxynaphthalene-1-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 25493135
[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717
N-(3-fluorophenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 45355150
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
N-(3,5-difluorophenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 42923438
(3S)-1-(2-chlorobenzoyl)-N-(3,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 94082311
(3S)-N-(3-tert-butylphenyl)-1-(3-methoxy-2-methylbenzoyl)piperidine-3-carboxamide
CID 126604020
(3S)-N-(6-chloro-3-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 97000078
(3R)-1-(2-benzoylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 26049540
(3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 27745492
(3S)-1-(2,3,4-trimethoxybenzoyl)piperidine-3-carboxylic acid
CID 119113565
N-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46433629

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide (CID 18124202) is 1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide is COc1cccc(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)c1OC.
What is the InChIKey of 1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide?
The InChIKey is YYAATQWGGBQOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-18-12-6-11-17(19(18)27-2)21(25)23-13-7-8-15(14-23)20(24)22-16-9-4-3-5-10-16/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H,22,24).
What are the key properties of 1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide?
1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 18124202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).