N-[2-(3-bromophenyl)ethyl]-4-methylpiperidine-1-carboxamide

C15H21BrN2O — CID 108901581

IUPACN-[2-(3-bromophenyl)ethyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCCc2cccc(Br)c2)CC1
InChIInChI=1S/C15H21BrN2O/c1-12-6-9-18(10-7-12)15(19)17-8-5-13-3-2-4-14(16)11-13/h2-4,11-12H,5-10H2,1H3,(H,17,19)
InChIKeyFLUBGWVJULWCOJ-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.43
Rot. Bonds3

About N-[2-(3-bromophenyl)ethyl]-4-methylpiperidine-1-carboxamide

N-[2-(3-bromophenyl)ethyl]-4-methylpiperidine-1-carboxamide (PubChem CID 108901581) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)ethyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)ethyl]-4-methylpiperidine-1-carboxamide
PubChem CID108901581
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[2-(3-bromophenyl)ethyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCCc2cccc(Br)c2)CC1
InChIInChI=1S/C15H21BrN2O/c1-12-6-9-18(10-7-12)15(19)17-8-5-13-3-2-4-14(16)11-13/h2-4,11-12H,5-10H2,1H3,(H,17,19)
InChIKeyFLUBGWVJULWCOJ-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-[(4-methylpiperidine-1-carbonyl)amino]ethyl]benzoic acid
CID 63795102
N-[2-(3-bromophenyl)ethyl]piperazine-1-carboxamide
CID 82095179
N-[2-(3-bromophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108901769
4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide
CID 52656985
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
3-[2-[(4-aminopiperidine-1-carbonyl)amino]ethyl]benzoic acid
CID 63793349
4-acetyl-N-[(3-bromophenyl)methyl]piperazine-1-carboxamide
CID 108898818
N-[(3-bromophenyl)methyl]azepane-1-carboxamide
CID 60605583
N-[2-(3-bromophenyl)ethyl]-2-(cyclopropylamino)acetamide
CID 115158540
N-[2-(3-chlorophenyl)ethyl]-3,3,4-trimethylpiperidine-1-carboxamide
CID 166321620
N-[3-(4-bromo-2-chlorophenoxy)propyl]-4-methylpiperidine-1-carboxamide
CID 108882317
3-(3-bromophenyl)-1-[(3S)-3-methylpiperazin-1-yl]propan-1-one
CID 124670153

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)ethyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(3-bromophenyl)ethyl]-4-methylpiperidine-1-carboxamide (CID 108901581) is N-[2-(3-bromophenyl)ethyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-bromophenyl)ethyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(3-bromophenyl)ethyl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NCCc2cccc(Br)c2)CC1.
What is the InChIKey of N-[2-(3-bromophenyl)ethyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is FLUBGWVJULWCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-12-6-9-18(10-7-12)15(19)17-8-5-13-3-2-4-14(16)11-13/h2-4,11-12H,5-10H2,1H3,(H,17,19).
What are the key properties of N-[2-(3-bromophenyl)ethyl]-4-methylpiperidine-1-carboxamide?
N-[2-(3-bromophenyl)ethyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)ethyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 108901581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).