1-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C20H23N3O3 — CID 113004432

IUPAC1-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccccc1C(=O)N1CCC(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C20H23N3O3/c1-26-18-8-3-2-7-17(18)20(25)23-12-9-15(10-13-23)19(24)22-14-16-6-4-5-11-21-16/h2-8,11,15H,9-10,12-14H2,1H3,(H,22,24)
InChIKeyDZEFPOHKSWKXMT-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.26
Rot. Bonds5

About 1-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 113004432) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID113004432
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccccc1C(=O)N1CCC(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C20H23N3O3/c1-26-18-8-3-2-7-17(18)20(25)23-12-9-15(10-13-23)19(24)22-14-16-6-4-5-11-21-16/h2-8,11,15H,9-10,12-14H2,1H3,(H,22,24)
InChIKeyDZEFPOHKSWKXMT-UHFFFAOYSA-N
XLogP2.26
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390077
1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 3472038
1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004430
1-(furan-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 35555974
1-N-cyclohexyl-4-N-(pyridin-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 113004461
1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 70725617
N-[1-(2-methoxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820511
1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46411181
N-(2,6-dimethylphenyl)-1-(2-methoxybenzoyl)piperidine-4-carboxamide
CID 113006521
4-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 42820110
N-[(2-methoxy-4-pyridinyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 18205211
1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 3316052

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 113004432) is 1-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is COc1ccccc1C(=O)N1CCC(C(=O)NCc2ccccn2)CC1.
What is the InChIKey of 1-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is DZEFPOHKSWKXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-18-8-3-2-7-17(18)20(25)23-12-9-15(10-13-23)19(24)22-14-16-6-4-5-11-21-16/h2-8,11,15H,9-10,12-14H2,1H3,(H,22,24).
What are the key properties of 1-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 113004432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).