(2S,4S)-1,2-dimethyl-N-[1-(1-phenylethyl)pyrazol-4-yl]piperidine-4-carboxamide

C19H26N4O — CID 154793518

IUPAC(2S,4S)-1,2-dimethyl-N-[1-(1-phenylethyl)pyrazol-4-yl]piperidine-4-carboxamide
SMILESCC(c1ccccc1)n1cc(NC(=O)[C@H]2CCN(C)[C@@H](C)C2)cn1
InChIInChI=1S/C19H26N4O/c1-14-11-17(9-10-22(14)3)19(24)21-18-12-20-23(13-18)15(2)16-7-5-4-6-8-16/h4-8,12-15,17H,9-11H2,1-3H3,(H,21,24)/t14-,15?,17-/m0/s1
InChIKeyJUHYOZVEEMRFSI-AYWPPYMVSA-N
MW326.44 g/mol
LogP3.16
Rot. Bonds4

About (2S,4S)-1,2-dimethyl-N-[1-(1-phenylethyl)pyrazol-4-yl]piperidine-4-carboxamide

(2S,4S)-1,2-dimethyl-N-[1-(1-phenylethyl)pyrazol-4-yl]piperidine-4-carboxamide (PubChem CID 154793518) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (2S,4S)-1,2-dimethyl-N-[1-(1-phenylethyl)pyrazol-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1,2-dimethyl-N-[1-(1-phenylethyl)pyrazol-4-yl]piperidine-4-carboxamide
PubChem CID154793518
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(2S,4S)-1,2-dimethyl-N-[1-(1-phenylethyl)pyrazol-4-yl]piperidine-4-carboxamide
SMILESCC(c1ccccc1)n1cc(NC(=O)[C@H]2CCN(C)[C@@H](C)C2)cn1
InChIInChI=1S/C19H26N4O/c1-14-11-17(9-10-22(14)3)19(24)21-18-12-20-23(13-18)15(2)16-7-5-4-6-8-16/h4-8,12-15,17H,9-11H2,1-3H3,(H,21,24)/t14-,15?,17-/m0/s1
InChIKeyJUHYOZVEEMRFSI-AYWPPYMVSA-N
XLogP3.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95171765
3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide
CID 81494459
N-(3-tert-butyl-4-methylphenyl)-1,2-dimethylpiperidine-4-carboxamide
CID 170148773
2-(1-ethylpyrazol-4-yl)-N-[1-(1-phenylethyl)pyrazol-4-yl]acetamide
CID 136549421
3-[(1-methylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782962
1-[(1S)-1-phenylethyl]pyrazole-4-carbonyl chloride
CID 58117230
2-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 62904242
(3S)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide
CID 81139176
N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 32609867
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720
N-(1-propan-2-ylpyrazol-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 134709761
9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120987708

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1,2-dimethyl-N-[1-(1-phenylethyl)pyrazol-4-yl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-1,2-dimethyl-N-[1-(1-phenylethyl)pyrazol-4-yl]piperidine-4-carboxamide (CID 154793518) is (2S,4S)-1,2-dimethyl-N-[1-(1-phenylethyl)pyrazol-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-1,2-dimethyl-N-[1-(1-phenylethyl)pyrazol-4-yl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-1,2-dimethyl-N-[1-(1-phenylethyl)pyrazol-4-yl]piperidine-4-carboxamide is CC(c1ccccc1)n1cc(NC(=O)[C@H]2CCN(C)[C@@H](C)C2)cn1.
What is the InChIKey of (2S,4S)-1,2-dimethyl-N-[1-(1-phenylethyl)pyrazol-4-yl]piperidine-4-carboxamide?
The InChIKey is JUHYOZVEEMRFSI-AYWPPYMVSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-11-17(9-10-22(14)3)19(24)21-18-12-20-23(13-18)15(2)16-7-5-4-6-8-16/h4-8,12-15,17H,9-11H2,1-3H3,(H,21,24)/t14-,15?,17-/m0/s1.
What are the key properties of (2S,4S)-1,2-dimethyl-N-[1-(1-phenylethyl)pyrazol-4-yl]piperidine-4-carboxamide?
(2S,4S)-1,2-dimethyl-N-[1-(1-phenylethyl)pyrazol-4-yl]piperidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1,2-dimethyl-N-[1-(1-phenylethyl)pyrazol-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 154793518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).