2-(3-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide

C20H29BrN2O — CID 49194889

IUPAC2-(3-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide
SMILESCC1CCCCN1CCCCNC(=O)C1CC1c1cccc(Br)c1
InChIInChI=1S/C20H29BrN2O/c1-15-7-2-4-11-23(15)12-5-3-10-22-20(24)19-14-18(19)16-8-6-9-17(21)13-16/h6,8-9,13,15,18-19H,2-5,7,10-12,14H2,1H3,(H,22,24)
InChIKeyZOBVTVQCUVIOPH-UHFFFAOYSA-N
MW393.37 g/mol
LogP4.32
Rot. Bonds7

About 2-(3-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide

2-(3-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide (PubChem CID 49194889) has the molecular formula C20H29BrN2O and a molecular weight of 393.37 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide
PubChem CID49194889
Molecular FormulaC20H29BrN2O
Molecular Weight393.37 g/mol
Exact Mass392.15
IUPAC Name2-(3-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide
SMILESCC1CCCCN1CCCCNC(=O)C1CC1c1cccc(Br)c1
InChIInChI=1S/C20H29BrN2O/c1-15-7-2-4-11-23(15)12-5-3-10-22-20(24)19-14-18(19)16-8-6-9-17(21)13-16/h6,8-9,13,15,18-19H,2-5,7,10-12,14H2,1H3,(H,22,24)
InChIKeyZOBVTVQCUVIOPH-UHFFFAOYSA-N
XLogP4.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]pentanoate
CID 49197372
7-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]heptanoic acid
CID 119227195
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-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide
CID 119448623
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
4-bromo-N-[3-(2-methylpiperidin-1-yl)propyl]-2-sulfanylbenzamide
CID 107020528
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610
2-(3-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 119514058
methyl 3-[4-(2-methylpiperidin-1-yl)butylcarbamoyl]benzoate
CID 60516453
1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 51244180

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide (CID 49194889) is 2-(3-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide is CC1CCCCN1CCCCNC(=O)C1CC1c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide?
The InChIKey is ZOBVTVQCUVIOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29BrN2O/c1-15-7-2-4-11-23(15)12-5-3-10-22-20(24)19-14-18(19)16-8-6-9-17(21)13-16/h6,8-9,13,15,18-19H,2-5,7,10-12,14H2,1H3,(H,22,24).
What are the key properties of 2-(3-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide?
2-(3-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide has a molecular weight of 393.37 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 49194889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).