N-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide

C16H20N4O — CID 119341252

IUPACN-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
SMILESCc1ccn(-c2ccccc2NC(=O)C2CCCNC2)n1
InChIInChI=1S/C16H20N4O/c1-12-8-10-20(19-12)15-7-3-2-6-14(15)18-16(21)13-5-4-9-17-11-13/h2-3,6-8,10,13,17H,4-5,9,11H2,1H3,(H,18,21)
InChIKeyPBOIYHMVLVIGAY-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.12
Rot. Bonds3

About N-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide

N-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide (PubChem CID 119341252) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
PubChem CID119341252
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
SMILESCc1ccn(-c2ccccc2NC(=O)C2CCCNC2)n1
InChIInChI=1S/C16H20N4O/c1-12-8-10-20(19-12)15-7-3-2-6-14(15)18-16(21)13-5-4-9-17-11-13/h2-3,6-8,10,13,17H,4-5,9,11H2,1H3,(H,18,21)
InChIKeyPBOIYHMVLVIGAY-UHFFFAOYSA-N
XLogP2.12
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 119286230
(3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide
CID 81123663
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
CID 43706685
N-(2-methylsulfonylphenyl)piperidine-3-carboxamide
CID 43709740
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119294822
(3R)-N-(2,6-dimethyl-3-pyridinyl)piperidine-3-carboxamide
CID 81133991
N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265832
N-[2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 18071955
(3R)-N-[2-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 81124791
1-[2-(cyclohexanecarbonylamino)phenyl]pyrazole-3-carboxylic acid
CID 119206628
1-(1-methylpiperidin-4-yl)-3-[2-(3-methylpyrazol-1-yl)phenyl]urea
CID 136514705
(3R)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 81119455

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide (CID 119341252) is N-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide is Cc1ccn(-c2ccccc2NC(=O)C2CCCNC2)n1.
What is the InChIKey of N-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is PBOIYHMVLVIGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-8-10-20(19-12)15-7-3-2-6-14(15)18-16(21)13-5-4-9-17-11-13/h2-3,6-8,10,13,17H,4-5,9,11H2,1H3,(H,18,21).
What are the key properties of N-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide?
N-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 119341252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).