1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C21H25N3O4 — CID 46412193

IUPAC1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)NCc3cccnc3)CC2)cc1OC
InChIInChI=1S/C21H25N3O4/c1-27-18-6-5-17(12-19(18)28-2)21(26)24-10-7-16(8-11-24)20(25)23-14-15-4-3-9-22-13-15/h3-6,9,12-13,16H,7-8,10-11,14H2,1-2H3,(H,23,25)
InChIKeyKGXAYIVNMAHQFG-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.27
Rot. Bonds6

About 1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 46412193) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID46412193
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)NCc3cccnc3)CC2)cc1OC
InChIInChI=1S/C21H25N3O4/c1-27-18-6-5-17(12-19(18)28-2)21(26)24-10-7-16(8-11-24)20(25)23-14-15-4-3-9-22-13-15/h3-6,9,12-13,16H,7-8,10-11,14H2,1-2H3,(H,23,25)
InChIKeyKGXAYIVNMAHQFG-UHFFFAOYSA-N
XLogP2.27
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 796244
1-[2-(2-methoxyphenyl)acetyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46600585
1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003957
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924568
N-(pyridin-3-ylmethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295099
8-(3,4-dimethoxybenzoyl)-4-(4-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 83275460
1-(3,4-dimethoxybenzoyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide
CID 118765591
N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113004742
[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 110150380
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137034
(3-methoxy-4-methylphenyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136519929

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 46412193) is 1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is COc1ccc(C(=O)N2CCC(C(=O)NCc3cccnc3)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is KGXAYIVNMAHQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-18-6-5-17(12-19(18)28-2)21(26)24-10-7-16(8-11-24)20(25)23-14-15-4-3-9-22-13-15/h3-6,9,12-13,16H,7-8,10-11,14H2,1-2H3,(H,23,25).
What are the key properties of 1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 46412193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).