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

C16H20ClN3O2 — CID 47031993

IUPACN-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H20ClN3O2/c1-11-10-13(17)4-5-14(11)18-16(22)20-8-6-19(7-9-20)15(21)12-2-3-12/h4-5,10,12H,2-3,6-9H2,1H3,(H,18,22)
InChIKeyKSHZFNOUJBBZDC-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.73
Rot. Bonds2

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

N-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide (PubChem CID 47031993) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide
PubChem CID47031993
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H20ClN3O2/c1-11-10-13(17)4-5-14(11)18-16(22)20-8-6-19(7-9-20)15(21)12-2-3-12/h4-5,10,12H,2-3,6-9H2,1H3,(H,18,22)
InChIKeyKSHZFNOUJBBZDC-UHFFFAOYSA-N
XLogP2.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 109150231
N-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide
CID 95299451
N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 22615613
N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150076
N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109916
N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145686
N-(4-chloro-2-methylphenyl)-4-hydroxy-4-(methoxymethyl)piperidine-1-carboxamide
CID 136518198
N-(4-chloro-2-methylphenyl)-3,3,4-trimethylpiperidine-1-carboxamide
CID 154861542
N-(3-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 99591307
N-(4-chloro-2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132288
N-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113113238
N-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide
CID 113113234

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide (CID 47031993) is N-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide is Cc1cc(Cl)ccc1NC(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide?
The InChIKey is KSHZFNOUJBBZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-11-10-13(17)4-5-14(11)18-16(22)20-8-6-19(7-9-20)15(21)12-2-3-12/h4-5,10,12H,2-3,6-9H2,1H3,(H,18,22).
What are the key properties of N-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide?
N-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide has a molecular weight of 321.81 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 47031993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).