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

C17H26BrClN2O — CID 45260342

IUPAC1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide
SMILESBr.CCN(CC)C(=O)C1CCCN(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C17H25ClN2O.BrH/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;1H
InChIKeyULAOWOYDCZMTBF-UHFFFAOYSA-N
MW389.77 g/mol
LogP4.00
Rot. Bonds5

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

1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide (PubChem CID 45260342) has the molecular formula C17H26BrClN2O and a molecular weight of 389.77 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide
PubChem CID45260342
Molecular FormulaC17H26BrClN2O
Molecular Weight389.77 g/mol
Exact Mass388.09
IUPAC Name1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide
SMILESBr.CCN(CC)C(=O)C1CCCN(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C17H25ClN2O.BrH/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;1H
InChIKeyULAOWOYDCZMTBF-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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Related Compounds

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1-(3-chlorobenzyl)-3-[(4-methylpiperazino)carbonyl]-2(1H)-pyridinone
CID 1478481
DAN-LON-a5fc619e-3
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Cambridge id 5260289
CID 2838041

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide (CID 45260342) is 1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide is Br.CCN(CC)C(=O)C1CCCN(Cc2cccc(Cl)c2)C1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide?
The InChIKey is ULAOWOYDCZMTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O.BrH/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;1H.
What are the key properties of 1-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide?
1-[(3-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-[(3-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide is sourced from PubChem (CID 45260342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).