N-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide

C19H19ClN4O — CID 113113234

IUPACN-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)N1CCN(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H19ClN4O/c1-14-12-16(20)4-7-18(14)22-19(25)24-10-8-23(9-11-24)17-5-2-15(13-21)3-6-17/h2-7,12H,8-11H2,1H3,(H,22,25)
InChIKeyUSRMTNHDYQEFLU-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.87
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide

N-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide (PubChem CID 113113234) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide
PubChem CID113113234
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC NameN-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)N1CCN(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H19ClN4O/c1-14-12-16(20)4-7-18(14)22-19(25)24-10-8-23(9-11-24)17-5-2-15(13-21)3-6-17/h2-7,12H,8-11H2,1H3,(H,22,25)
InChIKeyUSRMTNHDYQEFLU-UHFFFAOYSA-N
XLogP3.87
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111826
N-(4-bromo-2-fluorophenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide
CID 3860163
N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 22615613
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-cyanophenyl)piperazine-1-carboxamide
CID 74227984
N-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide
CID 47031993
4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 23799232
4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
CID 113081072
N-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113113238
N-(5-chloro-2-methoxyphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111620
N-(2,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 113114419
N-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide
CID 95299451
N-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113752

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide (CID 113113234) is N-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide is Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ccc(C#N)cc2)CC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide?
The InChIKey is USRMTNHDYQEFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-14-12-16(20)4-7-18(14)22-19(25)24-10-8-23(9-11-24)17-5-2-15(13-21)3-6-17/h2-7,12H,8-11H2,1H3,(H,22,25).
What are the key properties of N-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide?
N-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113113234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).