1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C21H32N4O2 — CID 56869421

IUPAC1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCC(N2CCCC(C(=O)NCc3ccccn3)C2)CC1
InChIInChI=1S/C21H32N4O2/c1-16(2)21(27)24-12-8-19(9-13-24)25-11-5-6-17(15-25)20(26)23-14-18-7-3-4-10-22-18/h3-4,7,10,16-17,19H,5-6,8-9,11-15H2,1-2H3,(H,23,26)
InChIKeyPZUDJYDAZBODLH-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.06
Rot. Bonds5

About 1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 56869421) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID56869421
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCC(N2CCCC(C(=O)NCc3ccccn3)C2)CC1
InChIInChI=1S/C21H32N4O2/c1-16(2)21(27)24-12-8-19(9-13-24)25-11-5-6-17(15-25)20(26)23-14-18-7-3-4-10-22-18/h3-4,7,10,16-17,19H,5-6,8-9,11-15H2,1-2H3,(H,23,26)
InChIKeyPZUDJYDAZBODLH-UHFFFAOYSA-N
XLogP2.06
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96579721
(3R)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96577754
(3R)-1-[1-(3-aminopropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95563492
(3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95556400
(3S)-1-(1-pentanoylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95435827
1-(1-pentanoylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 56863441
propyl 4-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylate
CID 95543017
(3R)-1-[1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96582024
(3S)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96571119
(3R)-1-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96572670
(3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96580711
(3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96575243

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 56869421) is 1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is CC(C)C(=O)N1CCC(N2CCCC(C(=O)NCc3ccccn3)C2)CC1.
What is the InChIKey of 1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is PZUDJYDAZBODLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-16(2)21(27)24-12-8-19(9-13-24)25-11-5-6-17(15-25)20(26)23-14-18-7-3-4-10-22-18/h3-4,7,10,16-17,19H,5-6,8-9,11-15H2,1-2H3,(H,23,26).
What are the key properties of 1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56869421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).