4-[(2-bromobenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide

C17H24BrN3O2 — CID 108559685

IUPAC4-[(2-bromobenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC(NC(=O)c2ccccc2Br)CC1
InChIInChI=1S/C17H24BrN3O2/c1-3-20(4-2)17(23)21-11-9-13(10-12-21)19-16(22)14-7-5-6-8-15(14)18/h5-8,13H,3-4,9-12H2,1-2H3,(H,19,22)
InChIKeyGYXDLFVUFHPYFI-UHFFFAOYSA-N
MW382.30 g/mol
LogP3.11
Rot. Bonds4

About 4-[(2-bromobenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide

4-[(2-bromobenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide (PubChem CID 108559685) has the molecular formula C17H24BrN3O2 and a molecular weight of 382.30 g/mol. Its IUPAC name is 4-[(2-bromobenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-bromobenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide
PubChem CID108559685
Molecular FormulaC17H24BrN3O2
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC Name4-[(2-bromobenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC(NC(=O)c2ccccc2Br)CC1
InChIInChI=1S/C17H24BrN3O2/c1-3-20(4-2)17(23)21-11-9-13(10-12-21)19-16(22)14-7-5-6-8-15(14)18/h5-8,13H,3-4,9-12H2,1-2H3,(H,19,22)
InChIKeyGYXDLFVUFHPYFI-UHFFFAOYSA-N
XLogP3.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[(2-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392152
2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108550222
N,N-diethyl-4-[(3-hydroxybenzoyl)amino]piperidine-1-carboxamide
CID 108562959
2-bromo-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110364
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
2-bromo-N-[4-[[4-[(2-bromobenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 3410866
4-[(2-iodobenzoyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108559708
4-[(3,5-dimethoxybenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide
CID 108559836
2-bromo-N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 3230384
2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
CID 110871264
ethyl 4-[(2-bromobenzoyl)amino]cyclohexane-1-carboxylate
CID 60932818
N,N-diethyl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 108561438

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromobenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide?
The IUPAC name of 4-[(2-bromobenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide (CID 108559685) is 4-[(2-bromobenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-bromobenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(2-bromobenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide is CCN(CC)C(=O)N1CCC(NC(=O)c2ccccc2Br)CC1.
What is the InChIKey of 4-[(2-bromobenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide?
The InChIKey is GYXDLFVUFHPYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2/c1-3-20(4-2)17(23)21-11-9-13(10-12-21)19-16(22)14-7-5-6-8-15(14)18/h5-8,13H,3-4,9-12H2,1-2H3,(H,19,22).
What are the key properties of 4-[(2-bromobenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide?
4-[(2-bromobenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide has a molecular weight of 382.30 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromobenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide is sourced from PubChem (CID 108559685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).