N-[1-(2-bromophenyl)ethyl]-6-oxopiperidine-3-carboxamide

C14H17BrN2O2 — CID 73389762

IUPACN-[1-(2-bromophenyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCC(NC(=O)C1CCC(=O)NC1)c1ccccc1Br
InChIInChI=1S/C14H17BrN2O2/c1-9(11-4-2-3-5-12(11)15)17-14(19)10-6-7-13(18)16-8-10/h2-5,9-10H,6-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyFMSSAHVRJBEIIT-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.15
Rot. Bonds3

About N-[1-(2-bromophenyl)ethyl]-6-oxopiperidine-3-carboxamide

N-[1-(2-bromophenyl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 73389762) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID73389762
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC NameN-[1-(2-bromophenyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCC(NC(=O)C1CCC(=O)NC1)c1ccccc1Br
InChIInChI=1S/C14H17BrN2O2/c1-9(11-4-2-3-5-12(11)15)17-14(19)10-6-7-13(18)16-8-10/h2-5,9-10H,6-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyFMSSAHVRJBEIIT-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 74271464
N-[1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 18111915
N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 9220068
N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide
CID 43701759
(3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 94154276
6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 71652098
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 112728851
N-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80564594
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81388252
4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide
CID 81397693
N-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102777686
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914385

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-6-oxopiperidine-3-carboxamide (CID 73389762) is N-[1-(2-bromophenyl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-6-oxopiperidine-3-carboxamide is CC(NC(=O)C1CCC(=O)NC1)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is FMSSAHVRJBEIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-9(11-4-2-3-5-12(11)15)17-14(19)10-6-7-13(18)16-8-10/h2-5,9-10H,6-8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
N-[1-(2-bromophenyl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 325.21 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 73389762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).