1-[(2-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide

C17H26BrClN2O — CID 45264296

IUPAC1-[(2-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide
SMILESBr.CCN(CC)C(=O)C1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C17H25ClN2O.BrH/c1-3-20(4-2)17(21)15-9-7-11-19(13-15)12-14-8-5-6-10-16(14)18;/h5-6,8,10,15H,3-4,7,9,11-13H2,1-2H3;1H
InChIKeyOLCXRGVZUYVOFL-UHFFFAOYSA-N
MW389.77 g/mol
LogP4.00
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide

1-[(2-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide (PubChem CID 45264296) has the molecular formula C17H26BrClN2O and a molecular weight of 389.77 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide
PubChem CID45264296
Molecular FormulaC17H26BrClN2O
Molecular Weight389.77 g/mol
Exact Mass388.09
IUPAC Name1-[(2-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide
SMILESBr.CCN(CC)C(=O)C1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C17H25ClN2O.BrH/c1-3-20(4-2)17(21)15-9-7-11-19(13-15)12-14-8-5-6-10-16(14)18;/h5-6,8,10,15H,3-4,7,9,11-13H2,1-2H3;1H
InChIKeyOLCXRGVZUYVOFL-UHFFFAOYSA-N
XLogP4.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.77
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide (CID 45264296) is 1-[(2-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide is Br.CCN(CC)C(=O)C1CCCN(Cc2ccccc2Cl)C1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide?
The InChIKey is OLCXRGVZUYVOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O.BrH/c1-3-20(4-2)17(21)15-9-7-11-19(13-15)12-14-8-5-6-10-16(14)18;/h5-6,8,10,15H,3-4,7,9,11-13H2,1-2H3;1H.
What are the key properties of 1-[(2-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide?
1-[(2-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide has a molecular weight of 389.77 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide is sourced from PubChem (CID 45264296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).