(2S)-N-(3-cyanophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide

C15H18N4O2 — CID 95330957

IUPAC(2S)-N-(3-cyanophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)[C@H]1C(=O)NCCN1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H18N4O2/c1-10(2)13-14(20)17-6-7-19(13)15(21)18-12-5-3-4-11(8-12)9-16/h3-5,8,10,13H,6-7H2,1-2H3,(H,17,20)(H,18,21)/t13-/m0/s1
InChIKeyFJJYMQLNNVSYKT-ZDUSSCGKSA-N
MW286.33 g/mol
LogP1.55
Rot. Bonds2

About (2S)-N-(3-cyanophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide

(2S)-N-(3-cyanophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide (PubChem CID 95330957) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2S)-N-(3-cyanophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-cyanophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
PubChem CID95330957
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(2S)-N-(3-cyanophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)[C@H]1C(=O)NCCN1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H18N4O2/c1-10(2)13-14(20)17-6-7-19(13)15(21)18-12-5-3-4-11(8-12)9-16/h3-5,8,10,13H,6-7H2,1-2H3,(H,17,20)(H,18,21)/t13-/m0/s1
InChIKeyFJJYMQLNNVSYKT-ZDUSSCGKSA-N
XLogP1.55
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzonitrile
CID 110873324
N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
CID 118789970
N-(3-cyanophenyl)-5-oxo-1,4-diazepane-1-carboxamide
CID 60969059
cis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 124834746
(2R)-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
CID 99809312
N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896286
N-(3-bromophenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 141012271
N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide
CID 63872709
3-(2-ethyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 63600980
(2S)-N-(3-cyanophenyl)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
CID 95629024
N-(3-cyanophenyl)-2-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 126807058
4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one
CID 110873351

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyanophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of (2S)-N-(3-cyanophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide (CID 95330957) is (2S)-N-(3-cyanophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for (2S)-N-(3-cyanophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for (2S)-N-(3-cyanophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide is CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of (2S)-N-(3-cyanophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is FJJYMQLNNVSYKT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10(2)13-14(20)17-6-7-19(13)15(21)18-12-5-3-4-11(8-12)9-16/h3-5,8,10,13H,6-7H2,1-2H3,(H,17,20)(H,18,21)/t13-/m0/s1.
What are the key properties of (2S)-N-(3-cyanophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide?
(2S)-N-(3-cyanophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyanophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 95330957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).