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

C12H16ClN3O — CID 22615613

IUPACN-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)N1CCNCC1
InChIInChI=1S/C12H16ClN3O/c1-9-8-10(13)2-3-11(9)15-12(17)16-6-4-14-5-7-16/h2-3,8,14H,4-7H2,1H3,(H,15,17)
InChIKeyJWOMNJJTAMGFDQ-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.09
Rot. Bonds1

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

N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide (PubChem CID 22615613) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
PubChem CID22615613
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC NameN-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)N1CCNCC1
InChIInChI=1S/C12H16ClN3O/c1-9-8-10(13)2-3-11(9)15-12(17)16-6-4-14-5-7-16/h2-3,8,14H,4-7H2,1H3,(H,15,17)
InChIKeyJWOMNJJTAMGFDQ-UHFFFAOYSA-N
XLogP2.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide
CID 47031993
N-(4-bromo-5-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 171916677
N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109916
N-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide
CID 113113234
N-(4-chloro-2-methylphenyl)-4-hydroxy-4-(methoxymethyl)piperidine-1-carboxamide
CID 136518198
N-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide
CID 95299451
N-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113113238
N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 43288448
N-(4-chloro-2-methylphenyl)-3,3,4-trimethylpiperidine-1-carboxamide
CID 154861542
2-(4-chloro-2-methylphenyl)-1-piperazin-1-ylethanone
CID 82511847
N-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113113209
N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide
CID 171854873

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide (CID 22615613) is N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide is Cc1cc(Cl)ccc1NC(=O)N1CCNCC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide?
The InChIKey is JWOMNJJTAMGFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-9-8-10(13)2-3-11(9)15-12(17)16-6-4-14-5-7-16/h2-3,8,14H,4-7H2,1H3,(H,15,17).
What are the key properties of N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide?
N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 22615613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).