(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide

C13H18N4O — CID 6557829

IUPAC(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C13H18N4O/c18-12(16-11-4-5-11)10-3-1-8-17(9-10)13-14-6-2-7-15-13/h2,6-7,10-11H,1,3-5,8-9H2,(H,16,18)/t10-/m1/s1
InChIKeyVZAOSZFVKATGGK-SNVBAGLBSA-N
MW246.31 g/mol
LogP0.97
Rot. Bonds3

About (3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide

(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 6557829) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID6557829
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C13H18N4O/c18-12(16-11-4-5-11)10-3-1-8-17(9-10)13-14-6-2-7-15-13/h2,6-7,10-11H,1,3-5,8-9H2,(H,16,18)/t10-/m1/s1
InChIKeyVZAOSZFVKATGGK-SNVBAGLBSA-N
XLogP0.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
(3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95551990
(3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435438
N-cyclopropyl-1-(5-ethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 166600796
N-(2,2-dimethyloxan-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 71702861
N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide
CID 43712323
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
(3S)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96557652
(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435435
N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384630
(3R)-1-pyrimidin-2-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-3-carboxamide
CID 100851588

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 6557829) is (3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(NC1CC1)[C@@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of (3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is VZAOSZFVKATGGK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N4O/c18-12(16-11-4-5-11)10-3-1-8-17(9-10)13-14-6-2-7-15-13/h2,6-7,10-11H,1,3-5,8-9H2,(H,16,18)/t10-/m1/s1.
What are the key properties of (3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide?
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 6557829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).