(2S,4S)-2-methyl-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]piperidine-4-carboxamide

C18H23N5O2 — CID 120646335

IUPAC(2S,4S)-2-methyl-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NC(C(=O)Nc2ccn[nH]2)c2ccccc2)CCN1
InChIInChI=1S/C18H23N5O2/c1-12-11-14(7-9-19-12)17(24)22-16(13-5-3-2-4-6-13)18(25)21-15-8-10-20-23-15/h2-6,8,10,12,14,16,19H,7,9,11H2,1H3,(H,22,24)(H2,20,21,23,25)/t12-,14-,16?/m0/s1
InChIKeyWZVMQAIHBYHIJT-GKPPEQDDSA-N
MW341.42 g/mol
LogP1.59
Rot. Bonds5

About (2S,4S)-2-methyl-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]piperidine-4-carboxamide (PubChem CID 120646335) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]piperidine-4-carboxamide
PubChem CID120646335
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(2S,4S)-2-methyl-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NC(C(=O)Nc2ccn[nH]2)c2ccccc2)CCN1
InChIInChI=1S/C18H23N5O2/c1-12-11-14(7-9-19-12)17(24)22-16(13-5-3-2-4-6-13)18(25)21-15-8-10-20-23-15/h2-6,8,10,12,14,16,19H,7,9,11H2,1H3,(H,22,24)(H2,20,21,23,25)/t12-,14-,16?/m0/s1
InChIKeyWZVMQAIHBYHIJT-GKPPEQDDSA-N
XLogP1.59
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-(1H-pyrazol-5-yl)-2-[(2-pyrrolidin-2-ylacetyl)amino]acetamide;dihydrochloride
CID 119878715
N-(2,2-dimethyl-1-phenylpropyl)-2-methylpiperidine-4-carboxamide
CID 106738996
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
(2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide
CID 120634235
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-4-carboxamide
CID 106738958
2-amino-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]pentanamide
CID 119878696
(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide
CID 120623966
(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623965
(2S,4S)-N-[cyclopentyl(phenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624090
N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-phenylprop-2-ynamide
CID 122144672
(2S)-2-[[2-(2-methylphenyl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide
CID 95151753
(2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120618230

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]piperidine-4-carboxamide (CID 120646335) is (2S,4S)-2-methyl-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NC(C(=O)Nc2ccn[nH]2)c2ccccc2)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]piperidine-4-carboxamide?
The InChIKey is WZVMQAIHBYHIJT-GKPPEQDDSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12-11-14(7-9-19-12)17(24)22-16(13-5-3-2-4-6-13)18(25)21-15-8-10-20-23-15/h2-6,8,10,12,14,16,19H,7,9,11H2,1H3,(H,22,24)(H2,20,21,23,25)/t12-,14-,16?/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 120646335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).