(3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide

C13H20N4O2 — CID 95828671

IUPAC(3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide
SMILESCN(C)C(=O)[C@H]1CCCN(C(=O)c2ccn(C)n2)C1
InChIInChI=1S/C13H20N4O2/c1-15(2)12(18)10-5-4-7-17(9-10)13(19)11-6-8-16(3)14-11/h6,8,10H,4-5,7,9H2,1-3H3/t10-/m0/s1
InChIKeyFUKWEMFGQUQEEL-JTQLQIEISA-N
MW264.33 g/mol
LogP0.36
Rot. Bonds2

About (3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide

(3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide (PubChem CID 95828671) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide
PubChem CID95828671
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide
SMILESCN(C)C(=O)[C@H]1CCCN(C(=O)c2ccn(C)n2)C1
InChIInChI=1S/C13H20N4O2/c1-15(2)12(18)10-5-4-7-17(9-10)13(19)11-6-8-16(3)14-11/h6,8,10H,4-5,7,9H2,1-3H3/t10-/m0/s1
InChIKeyFUKWEMFGQUQEEL-JTQLQIEISA-N
XLogP0.36
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
[3-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122381
[3-(bromomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122473
(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 123809651
1-(furan-3-carbonyl)-N,N-dimethylpiperidine-3-carboxamide
CID 42891354
N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide
CID 74232620
N,N-dimethyl-1-[4-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide
CID 47085209
[3-(chloromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122422
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 91946785
1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 102549426
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 1219704
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 1219703

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide (CID 95828671) is (3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide is CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccn(C)n2)C1.
What is the InChIKey of (3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is FUKWEMFGQUQEEL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N4O2/c1-15(2)12(18)10-5-4-7-17(9-10)13(19)11-6-8-16(3)14-11/h6,8,10H,4-5,7,9H2,1-3H3/t10-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide?
(3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 95828671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).