1-benzyl-N,N-diethylpiperidine-3-carboxamide;hydrobromide

C17H27BrN2O — CID 45260370

IUPAC1-benzyl-N,N-diethylpiperidine-3-carboxamide;hydrobromide
SMILESBr.CCN(CC)C(=O)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H26N2O.BrH/c1-3-19(4-2)17(20)16-11-8-12-18(14-16)13-15-9-6-5-7-10-15;/h5-7,9-10,16H,3-4,8,11-14H2,1-2H3;1H
InChIKeyYHBAZOLIXLCKHN-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.34
Rot. Bonds5

About 1-benzyl-N,N-diethylpiperidine-3-carboxamide;hydrobromide

1-benzyl-N,N-diethylpiperidine-3-carboxamide;hydrobromide (PubChem CID 45260370) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-benzyl-N,N-diethylpiperidine-3-carboxamide;hydrobromide.

Molecular Properties

Compound Name1-benzyl-N,N-diethylpiperidine-3-carboxamide;hydrobromide
PubChem CID45260370
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name1-benzyl-N,N-diethylpiperidine-3-carboxamide;hydrobromide
SMILESBr.CCN(CC)C(=O)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H26N2O.BrH/c1-3-19(4-2)17(20)16-11-8-12-18(14-16)13-15-9-6-5-7-10-15;/h5-7,9-10,16H,3-4,8,11-14H2,1-2H3;1H
InChIKeyYHBAZOLIXLCKHN-UHFFFAOYSA-N
XLogP3.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N,N-diethylpiperidine-3-carboxamide;hydrobromide?
The IUPAC name of 1-benzyl-N,N-diethylpiperidine-3-carboxamide;hydrobromide (CID 45260370) is 1-benzyl-N,N-diethylpiperidine-3-carboxamide;hydrobromide.
What is the SMILES notation for 1-benzyl-N,N-diethylpiperidine-3-carboxamide;hydrobromide?
The canonical SMILES for 1-benzyl-N,N-diethylpiperidine-3-carboxamide;hydrobromide is Br.CCN(CC)C(=O)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N,N-diethylpiperidine-3-carboxamide;hydrobromide?
The InChIKey is YHBAZOLIXLCKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.BrH/c1-3-19(4-2)17(20)16-11-8-12-18(14-16)13-15-9-6-5-7-10-15;/h5-7,9-10,16H,3-4,8,11-14H2,1-2H3;1H.
What are the key properties of 1-benzyl-N,N-diethylpiperidine-3-carboxamide;hydrobromide?
1-benzyl-N,N-diethylpiperidine-3-carboxamide;hydrobromide has a molecular weight of 355.32 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N,N-diethylpiperidine-3-carboxamide;hydrobromide is sourced from PubChem (CID 45260370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).