1-[(3-bromophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide

C17H25BrN2O — CID 2837938

IUPAC1-[(3-bromophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2cccc(Br)c2)C1
InChIInChI=1S/C17H25BrN2O/c1-3-20(4-2)17(21)15-8-6-10-19(13-15)12-14-7-5-9-16(18)11-14/h5,7,9,11,15H,3-4,6,8,10,12-13H2,1-2H3
InChIKeyPYOUTBBZYWMAGO-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.53
Rot. Bonds5

About 1-[(3-bromophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide

1-[(3-bromophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 2837938) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID2837938
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name1-[(3-bromophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2cccc(Br)c2)C1
InChIInChI=1S/C17H25BrN2O/c1-3-20(4-2)17(21)15-8-6-10-19(13-15)12-14-7-5-9-16(18)11-14/h5,7,9,11,15H,3-4,6,8,10,12-13H2,1-2H3
InChIKeyPYOUTBBZYWMAGO-UHFFFAOYSA-N
XLogP3.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-[(3-bromophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide (CID 2837938) is 1-[(3-bromophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(Cc2cccc(Br)c2)C1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is PYOUTBBZYWMAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-3-20(4-2)17(21)15-8-6-10-19(13-15)12-14-7-5-9-16(18)11-14/h5,7,9,11,15H,3-4,6,8,10,12-13H2,1-2H3.
What are the key properties of 1-[(3-bromophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
1-[(3-bromophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 353.30 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 2837938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).