N-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide

C18H23BrN2O2 — CID 47030959

IUPACN-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(C(=O)C2CC2)C1)c1ccccc1Br
InChIInChI=1S/C18H23BrN2O2/c1-12(15-6-2-3-7-16(15)19)20-17(22)14-5-4-10-21(11-14)18(23)13-8-9-13/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H,20,22)
InChIKeyGQIPUDUONCVPCI-UHFFFAOYSA-N
MW379.30 g/mol
LogP3.27
Rot. Bonds4

About N-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide

N-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide (PubChem CID 47030959) has the molecular formula C18H23BrN2O2 and a molecular weight of 379.30 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
PubChem CID47030959
Molecular FormulaC18H23BrN2O2
Molecular Weight379.30 g/mol
Exact Mass378.09
IUPAC NameN-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(C(=O)C2CC2)C1)c1ccccc1Br
InChIInChI=1S/C18H23BrN2O2/c1-12(15-6-2-3-7-16(15)19)20-17(22)14-5-4-10-21(11-14)18(23)13-8-9-13/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H,20,22)
InChIKeyGQIPUDUONCVPCI-UHFFFAOYSA-N
XLogP3.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 9220068
N-[1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 18111915
(3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidine-3-carboxamide
CID 52517437
1-(cyclopropanecarbonyl)-N-[1-(4-hydroxy-1-methylpyrazol-3-yl)ethyl]piperidine-3-carboxamide
CID 154846356
N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide
CID 43701759
4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide
CID 81397693
N-[1-(2-bromophenyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 55875729
3-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55962948
1-[1-(2-bromophenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121905
(3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-cyclopropyl-2-phenylethyl]piperidine-3-carboxamide
CID 95632147
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 43172733
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-1-piperidin-1-ylpropan-1-one
CID 81383277

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide (CID 47030959) is N-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide is CC(NC(=O)C1CCCN(C(=O)C2CC2)C1)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
The InChIKey is GQIPUDUONCVPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O2/c1-12(15-6-2-3-7-16(15)19)20-17(22)14-5-4-10-21(11-14)18(23)13-8-9-13/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H,20,22).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
N-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide has a molecular weight of 379.30 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 47030959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).