3-(3-methylphenyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide

C19H26N4O — CID 118790711

IUPAC3-(3-methylphenyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCc1cccc(C2CCCN(C(=O)Nc3ccnn3C(C)C)C2)c1
InChIInChI=1S/C19H26N4O/c1-14(2)23-18(9-10-20-23)21-19(24)22-11-5-8-17(13-22)16-7-4-6-15(3)12-16/h4,6-7,9-10,12,14,17H,5,8,11,13H2,1-3H3,(H,21,24)
InChIKeyIOQCUJKKQRGRBX-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.18
Rot. Bonds3

About 3-(3-methylphenyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide

3-(3-methylphenyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide (PubChem CID 118790711) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide
PubChem CID118790711
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name3-(3-methylphenyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCc1cccc(C2CCCN(C(=O)Nc3ccnn3C(C)C)C2)c1
InChIInChI=1S/C19H26N4O/c1-14(2)23-18(9-10-20-23)21-19(24)22-11-5-8-17(13-22)16-7-4-6-15(3)12-16/h4,6-7,9-10,12,14,17H,5,8,11,13H2,1-3H3,(H,21,24)
InChIKeyIOQCUJKKQRGRBX-UHFFFAOYSA-N
XLogP4.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 70706897
[2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea
CID 99971911
1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 176578246
(3R)-N-(2-methyl-5-methylsulfonylphenyl)-3-(3-methylphenyl)piperidine-1-carboxamide
CID 125177264
N-(2-propan-2-ylpyrazol-3-yl)morpholine-4-carboxamide
CID 47198657
cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97138893
N-[3-[3-(methylamino)-3-oxopropyl]phenyl]-3-(3-methylphenyl)piperidine-1-carboxamide
CID 118786871
(3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872816
N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylphenyl)piperidine-1-carboxamide
CID 119066687
(3R)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylphenyl)piperidine-1-carboxamide
CID 126438496
2-methyl-6-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]pyran-4-one
CID 99994685
N-hydroxy-3-[6-[3-[3-(3-methylphenyl)piperidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
CID 75067604

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 3-(3-methylphenyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide (CID 118790711) is 3-(3-methylphenyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-(3-methylphenyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide is Cc1cccc(C2CCCN(C(=O)Nc3ccnn3C(C)C)C2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide?
The InChIKey is IOQCUJKKQRGRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14(2)23-18(9-10-20-23)21-19(24)22-11-5-8-17(13-22)16-7-4-6-15(3)12-16/h4,6-7,9-10,12,14,17H,5,8,11,13H2,1-3H3,(H,21,24).
What are the key properties of 3-(3-methylphenyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide?
3-(3-methylphenyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 118790711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).