N-(2-bromophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide

C16H19BrN2O2 — CID 108972096

IUPACN-(2-bromophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1Br)C1(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H19BrN2O2/c17-12-6-2-3-7-13(12)18-14(20)16(8-9-16)15(21)19-10-4-1-5-11-19/h2-3,6-7H,1,4-5,8-11H2,(H,18,20)
InChIKeyQXQDNHYMEDCDJE-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.18
Rot. Bonds3

About N-(2-bromophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide

N-(2-bromophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108972096) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108972096
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC NameN-(2-bromophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1Br)C1(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H19BrN2O2/c17-12-6-2-3-7-13(12)18-14(20)16(8-9-16)15(21)19-10-4-1-5-11-19/h2-3,6-7H,1,4-5,8-11H2,(H,18,20)
InChIKeyQXQDNHYMEDCDJE-UHFFFAOYSA-N
XLogP3.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972470
methyl 2-[[1-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 108972080
N-(2,4-dichlorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971732
N-(2,5-dimethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971649
1-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 108980445
N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971956
N-(3-chlorophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972050
N-(2,6-diethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971661
N-(2-methylphenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972398
1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide
CID 113309812
1-N'-(2-bromophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971329
1-N'-(2-bromophenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981811

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-bromophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide (CID 108972096) is N-(2-bromophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide is O=C(Nc1ccccc1Br)C1(C(=O)N2CCCCC2)CC1.
What is the InChIKey of N-(2-bromophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is QXQDNHYMEDCDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c17-12-6-2-3-7-13(12)18-14(20)16(8-9-16)15(21)19-10-4-1-5-11-19/h2-3,6-7H,1,4-5,8-11H2,(H,18,20).
What are the key properties of N-(2-bromophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide?
N-(2-bromophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 351.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108972096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).