(2R)-N-(4-cyanophenyl)-2-methylpiperazine-1-carboxamide

C13H16N4O — CID 82755656

IUPAC(2R)-N-(4-cyanophenyl)-2-methylpiperazine-1-carboxamide
SMILESC[C@@H]1CNCCN1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H16N4O/c1-10-9-15-6-7-17(10)13(18)16-12-4-2-11(8-14)3-5-12/h2-5,10,15H,6-7,9H2,1H3,(H,16,18)/t10-/m1/s1
InChIKeyJRMGJJMVNTYPTB-SNVBAGLBSA-N
MW244.30 g/mol
LogP1.38
Rot. Bonds1

About (2R)-N-(4-cyanophenyl)-2-methylpiperazine-1-carboxamide

(2R)-N-(4-cyanophenyl)-2-methylpiperazine-1-carboxamide (PubChem CID 82755656) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is (2R)-N-(4-cyanophenyl)-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-cyanophenyl)-2-methylpiperazine-1-carboxamide
PubChem CID82755656
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name(2R)-N-(4-cyanophenyl)-2-methylpiperazine-1-carboxamide
SMILESC[C@@H]1CNCCN1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H16N4O/c1-10-9-15-6-7-17(10)13(18)16-12-4-2-11(8-14)3-5-12/h2-5,10,15H,6-7,9H2,1H3,(H,16,18)/t10-/m1/s1
InChIKeyJRMGJJMVNTYPTB-SNVBAGLBSA-N
XLogP1.38
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 82756445
N-(4-cyanophenyl)-2,3-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide
CID 71875047
N-(2-chlorophenyl)-2-methylpiperazine-1-carboxamide
CID 55104624
1-[(4-cyanophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107070005
(2R)-N-(2,4-difluorophenyl)-2-methylpiperazine-1-carboxamide
CID 82755862
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
(2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 82756259
N-(4-cyanophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide
CID 63250320
(2S)-N-(4-bromo-2-chlorophenyl)-2-methylpiperazine-1-carboxamide;hydrochloride
CID 171854913
N-(4-cyanophenyl)-2-ethyl-3,5-dioxopiperazine-1-carboxamide
CID 66067199
1-(4-cyanophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 113436695
(2S)-N-tert-butyl-2-methylpiperazine-1-carboxamide
CID 82756446

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-cyanophenyl)-2-methylpiperazine-1-carboxamide?
The IUPAC name of (2R)-N-(4-cyanophenyl)-2-methylpiperazine-1-carboxamide (CID 82755656) is (2R)-N-(4-cyanophenyl)-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-(4-cyanophenyl)-2-methylpiperazine-1-carboxamide?
The canonical SMILES for (2R)-N-(4-cyanophenyl)-2-methylpiperazine-1-carboxamide is C[C@@H]1CNCCN1C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of (2R)-N-(4-cyanophenyl)-2-methylpiperazine-1-carboxamide?
The InChIKey is JRMGJJMVNTYPTB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-9-15-6-7-17(10)13(18)16-12-4-2-11(8-14)3-5-12/h2-5,10,15H,6-7,9H2,1H3,(H,16,18)/t10-/m1/s1.
What are the key properties of (2R)-N-(4-cyanophenyl)-2-methylpiperazine-1-carboxamide?
(2R)-N-(4-cyanophenyl)-2-methylpiperazine-1-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-cyanophenyl)-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 82755656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).