N-(4-bromo-2-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C17H22BrN3O2 — CID 109134283

IUPACN-(4-bromo-2-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)C1CC1C(=O)N1CCN(C)CC1
InChIInChI=1S/C17H22BrN3O2/c1-11-9-12(18)3-4-15(11)19-16(22)13-10-14(13)17(23)21-7-5-20(2)6-8-21/h3-4,9,13-14H,5-8,10H2,1-2H3,(H,19,22)
InChIKeyYDZMHFOXJJMONW-UHFFFAOYSA-N
MW380.29 g/mol
LogP2.11
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-(4-bromo-2-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109134283) has the molecular formula C17H22BrN3O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109134283
Molecular FormulaC17H22BrN3O2
Molecular Weight380.29 g/mol
Exact Mass379.09
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)C1CC1C(=O)N1CCN(C)CC1
InChIInChI=1S/C17H22BrN3O2/c1-11-9-12(18)3-4-15(11)19-16(22)13-10-14(13)17(23)21-7-5-20(2)6-8-21/h3-4,9,13-14H,5-8,10H2,1-2H3,(H,19,22)
InChIKeyYDZMHFOXJJMONW-UHFFFAOYSA-N
XLogP2.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134282
N-(2-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134208
N-(2,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134297
N-(4-bromo-2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944464
N-(4-chloro-2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132288
N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139007
N-(2-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134246
N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132258
N-(2,6-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134311
(3S,5S)-N-(4-bromo-2-methylphenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 51945173
N-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134248
N-(4-chloro-2-methylphenyl)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropane-1-carboxamide
CID 109137523

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 109134283) is N-(4-bromo-2-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is Cc1cc(Br)ccc1NC(=O)C1CC1C(=O)N1CCN(C)CC1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is YDZMHFOXJJMONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O2/c1-11-9-12(18)3-4-15(11)19-16(22)13-10-14(13)17(23)21-7-5-20(2)6-8-21/h3-4,9,13-14H,5-8,10H2,1-2H3,(H,19,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(4-bromo-2-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 380.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109134283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).