N-(3,5-dichlorophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide

C15H21Cl2N3O — CID 17184931

IUPACN-(3,5-dichlorophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
SMILESCC(C)CN1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2N3O/c1-11(2)10-19-3-5-20(6-4-19)15(21)18-14-8-12(16)7-13(17)9-14/h7-9,11H,3-6,10H2,1-2H3,(H,18,21)
InChIKeyFAJWWGNAVKNSSN-UHFFFAOYSA-N
MW330.26 g/mol
LogP3.80
Rot. Bonds3

About N-(3,5-dichlorophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide

N-(3,5-dichlorophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 17184931) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID17184931
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC NameN-(3,5-dichlorophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
SMILESCC(C)CN1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2N3O/c1-11(2)10-19-3-5-20(6-4-19)15(21)18-14-8-12(16)7-13(17)9-14/h7-9,11H,3-6,10H2,1-2H3,(H,18,21)
InChIKeyFAJWWGNAVKNSSN-UHFFFAOYSA-N
XLogP3.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113104003
N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103998
N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 17184958
N-(3,4-dipropoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 55695184
N-(3,5-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 113223015
N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide
CID 103774779
N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 103774793
4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide
CID 113110558
4-[(4-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113107874
tert-butyl 4-[(3,5-dichlorophenyl)carbamoyl]-1,4-diazepane-1-carboxylate
CID 2815818
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
(3aR,8aS)-N-(3,4-difluorophenyl)-6-(2-methylpropyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine-2-carboxamide
CID 155877141

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide (CID 17184931) is N-(3,5-dichlorophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide is CC(C)CN1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is FAJWWGNAVKNSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c1-11(2)10-19-3-5-20(6-4-19)15(21)18-14-8-12(16)7-13(17)9-14/h7-9,11H,3-6,10H2,1-2H3,(H,18,21).
What are the key properties of N-(3,5-dichlorophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide?
N-(3,5-dichlorophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 330.26 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 17184931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).