1-(pyridin-2-ylmethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide

C20H26N4O — CID 110090181

IUPAC1-(pyridin-2-ylmethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
SMILESNC(=O)C1(CCCc2ccccn2)CCCN(Cc2ccccn2)C1
InChIInChI=1S/C20H26N4O/c21-19(25)20(10-5-9-17-7-1-3-12-22-17)11-6-14-24(16-20)15-18-8-2-4-13-23-18/h1-4,7-8,12-13H,5-6,9-11,14-16H2,(H2,21,25)
InChIKeyLWYTYQRXSOZCMB-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.57
Rot. Bonds7

About 1-(pyridin-2-ylmethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide

1-(pyridin-2-ylmethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide (PubChem CID 110090181) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
PubChem CID110090181
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name1-(pyridin-2-ylmethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
SMILESNC(=O)C1(CCCc2ccccn2)CCCN(Cc2ccccn2)C1
InChIInChI=1S/C20H26N4O/c21-19(25)20(10-5-9-17-7-1-3-12-22-17)11-6-14-24(16-20)15-18-8-2-4-13-23-18/h1-4,7-8,12-13H,5-6,9-11,14-16H2,(H2,21,25)
InChIKeyLWYTYQRXSOZCMB-UHFFFAOYSA-N
XLogP2.57
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(2-hydroxyethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 124946791
ethyl (3S)-3-(2-phenylethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 42291340
ethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 45180720
(3R)-3-(3-pyrazin-2-ylpropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 125018214
(3R)-3-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 95558835
(3R)-3-[(2-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 95545248
3-methyl-1-(pyridin-2-ylmethyl)piperidin-3-ol
CID 115873664
2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183
N-methyl-3-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110231994
(2R)-2-(3-pyridin-2-ylpropyl)azetidine-2-carboxamide
CID 95804889
(3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 95402837
(3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609608

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(pyridin-2-ylmethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide (CID 110090181) is 1-(pyridin-2-ylmethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(pyridin-2-ylmethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide is NC(=O)C1(CCCc2ccccn2)CCCN(Cc2ccccn2)C1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide?
The InChIKey is LWYTYQRXSOZCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c21-19(25)20(10-5-9-17-7-1-3-12-22-17)11-6-14-24(16-20)15-18-8-2-4-13-23-18/h1-4,7-8,12-13H,5-6,9-11,14-16H2,(H2,21,25).
What are the key properties of 1-(pyridin-2-ylmethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide?
1-(pyridin-2-ylmethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 110090181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).