2-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide

C16H22BrN3O — CID 119448623

IUPAC2-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCN1CCNCC1)C1CC1c1cccc(Br)c1
InChIInChI=1S/C16H22BrN3O/c17-13-3-1-2-12(10-13)14-11-15(14)16(21)19-6-9-20-7-4-18-5-8-20/h1-3,10,14-15,18H,4-9,11H2,(H,19,21)
InChIKeyQNNYOIMEPRTAOE-UHFFFAOYSA-N
MW352.28 g/mol
LogP1.57
Rot. Bonds5

About 2-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide

2-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide (PubChem CID 119448623) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide
PubChem CID119448623
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name2-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCN1CCNCC1)C1CC1c1cccc(Br)c1
InChIInChI=1S/C16H22BrN3O/c17-13-3-1-2-12(10-13)14-11-15(14)16(21)19-6-9-20-7-4-18-5-8-20/h1-3,10,14-15,18H,4-9,11H2,(H,19,21)
InChIKeyQNNYOIMEPRTAOE-UHFFFAOYSA-N
XLogP1.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide
CID 119448722
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119448721
N-(3-aminopropyl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119408418
methyl 3-[[(1S,2S)-2-(3-bromophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95284135
2-(3-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide
CID 49194889
7-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]heptanoic acid
CID 119227195
2-(4-phenylmethoxyphenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119446523
2-(3-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 119514058
methyl 5-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]pentanoate
CID 49197372
[2-(3-bromophenyl)cyclopropyl]-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119418098
trans-(1S,2S)-2-(3-bromophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 94800328
cis-(1R,2S)-2-(3-bromophenyl)-N-[(2R)-2-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 95155854

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide (CID 119448623) is 2-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide is O=C(NCCN1CCNCC1)C1CC1c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is QNNYOIMEPRTAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c17-13-3-1-2-12(10-13)14-11-15(14)16(21)19-6-9-20-7-4-18-5-8-20/h1-3,10,14-15,18H,4-9,11H2,(H,19,21).
What are the key properties of 2-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide?
2-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 352.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119448623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).