(3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C15H21N3O — CID 81129166

IUPAC(3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C([C@H]1CCCNC1)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C15H21N3O/c19-15(13-4-2-8-17-10-13)18(14-5-6-14)11-12-3-1-7-16-9-12/h1,3,7,9,13-14,17H,2,4-6,8,10-11H2/t13-/m0/s1
InChIKeyRLUBNCYSZVDCTQ-ZDUSSCGKSA-N
MW259.35 g/mol
LogP1.57
Rot. Bonds4

About (3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

(3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 81129166) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID81129166
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C([C@H]1CCCNC1)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C15H21N3O/c19-15(13-4-2-8-17-10-13)18(14-5-6-14)11-12-3-1-7-16-9-12/h1,3,7,9,13-14,17H,2,4-6,8,10-11H2/t13-/m0/s1
InChIKeyRLUBNCYSZVDCTQ-ZDUSSCGKSA-N
XLogP1.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 60937275
(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81128664
N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride
CID 119284886
N-cyclopropyl-N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55712917
(3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 81128811
N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119842424
N-cyclopropyl-2-morpholin-2-yl-N-(pyridin-3-ylmethyl)acetamide
CID 66428274
N-cyclopropyl-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 75133203
(2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 61155587
N,N-dibenzylpiperidine-3-carboxamide;hydrochloride
CID 119261732
piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride
CID 73012650
N-piperidin-3-yl-2-pyridin-3-ylacetamide
CID 63321155

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 81129166) is (3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is O=C([C@H]1CCCNC1)N(Cc1cccnc1)C1CC1.
What is the InChIKey of (3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is RLUBNCYSZVDCTQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15(13-4-2-8-17-10-13)18(14-5-6-14)11-12-3-1-7-16-9-12/h1,3,7,9,13-14,17H,2,4-6,8,10-11H2/t13-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
(3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 81129166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).