(3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide

C11H18N4O — CID 102805576

IUPAC(3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide
SMILESCc1nn(C)cc1NC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C11H18N4O/c1-8-10(7-15(2)14-8)13-11(16)9-4-3-5-12-6-9/h7,9,12H,3-6H2,1-2H3,(H,13,16)/t9-/m1/s1
InChIKeyRJDSZJJLSFQWQJ-SECBINFHSA-N
MW222.29 g/mol
LogP0.67
Rot. Bonds2

About (3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide

(3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide (PubChem CID 102805576) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide
PubChem CID102805576
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide
SMILESCc1nn(C)cc1NC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C11H18N4O/c1-8-10(7-15(2)14-8)13-11(16)9-4-3-5-12-6-9/h7,9,12H,3-6H2,1-2H3,(H,13,16)/t9-/m1/s1
InChIKeyRJDSZJJLSFQWQJ-SECBINFHSA-N
XLogP0.67
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 112669514
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299043
(3R)-N-(2,6-dimethyl-3-pyridinyl)piperidine-3-carboxamide
CID 81133991
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
CID 43706685
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 119286230
N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide
CID 115159866
(3R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide
CID 81124224
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide
CID 119275721
N-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 119341252
(3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide
CID 81124714
N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 119336082
N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide
CID 43708041

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide (CID 102805576) is (3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide is Cc1nn(C)cc1NC(=O)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide?
The InChIKey is RJDSZJJLSFQWQJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-10(7-15(2)14-8)13-11(16)9-4-3-5-12-6-9/h7,9,12H,3-6H2,1-2H3,(H,13,16)/t9-/m1/s1.
What are the key properties of (3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide?
(3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 102805576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).