N-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide

C15H22ClN3O — CID 17148611

IUPACN-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(C)C)CC2)c(Cl)c1
InChIInChI=1S/C15H22ClN3O/c1-11(2)18-6-8-19(9-7-18)15(20)17-14-5-4-12(3)10-13(14)16/h4-5,10-11H,6-9H2,1-3H3,(H,17,20)
InChIKeyPQUAJXDWDCISCH-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.21
Rot. Bonds2

About N-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide

N-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide (PubChem CID 17148611) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
PubChem CID17148611
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(C)C)CC2)c(Cl)c1
InChIInChI=1S/C15H22ClN3O/c1-11(2)18-6-8-19(9-7-18)15(20)17-14-5-4-12(3)10-13(14)16/h4-5,10-11H,6-9H2,1-3H3,(H,17,20)
InChIKeyPQUAJXDWDCISCH-UHFFFAOYSA-N
XLogP3.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 113103375
N-(2-chloro-4-methylphenyl)azocane-1-carboxamide
CID 17180409
N-(2-chloro-4-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111754219
N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185489
2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79610817
(4aS,8aS)-N-(2-chloro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944346
2-[1-[(2-chloro-4-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617426
N-(2-chloro-4-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921210
4-[(2S)-1-(2-chloro-4-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 95065281
N-(2-chloro-4-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
CID 143496573
(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
CID 28881797
N-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 122148707

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide (CID 17148611) is N-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(C(C)C)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is PQUAJXDWDCISCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-11(2)18-6-8-19(9-7-18)15(20)17-14-5-4-12(3)10-13(14)16/h4-5,10-11H,6-9H2,1-3H3,(H,17,20).
What are the key properties of N-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide?
N-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 17148611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).