N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromo-4-oxochromene-3-carboxamide

C24H25BrN2O3 — CID 162659546

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromo-4-oxochromene-3-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)c1coc2ccc(Br)cc2c1=O
InChIInChI=1S/C24H25BrN2O3/c25-19-6-7-22-20(14-19)23(28)21(16-30-22)24(29)26-11-8-17-9-12-27(13-10-17)15-18-4-2-1-3-5-18/h1-7,14,16-17H,8-13,15H2,(H,26,29)
InChIKeyYQIZRHGSFXSOAV-UHFFFAOYSA-N
MW469.38 g/mol
LogP4.59
Rot. Bonds6

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromo-4-oxochromene-3-carboxamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromo-4-oxochromene-3-carboxamide (PubChem CID 162659546) has the molecular formula C24H25BrN2O3 and a molecular weight of 469.38 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromo-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromo-4-oxochromene-3-carboxamide
PubChem CID162659546
Molecular FormulaC24H25BrN2O3
Molecular Weight469.38 g/mol
Exact Mass468.10
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromo-4-oxochromene-3-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)c1coc2ccc(Br)cc2c1=O
InChIInChI=1S/C24H25BrN2O3/c25-19-6-7-22-20(14-19)23(28)21(16-30-22)24(29)26-11-8-17-9-12-27(13-10-17)15-18-4-2-1-3-5-18/h1-7,14,16-17H,8-13,15H2,(H,26,29)
InChIKeyYQIZRHGSFXSOAV-UHFFFAOYSA-N
XLogP4.59
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromo-2-oxochromene-3-carboxamide
CID 76331718
5-Bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-2-methoxy-benzamide
CID 11315257
ethyl (4S)-6-bromo-4-[(2-methoxybenzoyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 137386135
N-((R)-1-Benzyl-pyrrolidin-3-ylmethyl)-5-bromo-2-methoxy-benzamide
CID 10001207
N-((S)-1-Benzyl-pyrrolidin-3-ylmethyl)-5-bromo-2-methoxy-benzamide
CID 44380816
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-oxochromene-3-carboxamide
CID 162654822
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methyl-4-oxochromene-3-carboxamide
CID 162655555
N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methoxy-4-oxochromene-3-carboxamide
CID 162673396
N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-bromo-4-oxochromene-3-carboxamide
CID 162674764
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methoxy-4-oxochromene-3-carboxamide
CID 162675988
N-[2-(dimethylamino)-2-phenylethyl]-4-oxochromene-3-carboxamide
CID 16288242
N-(1-benzylpiperidin-4-yl)-6-bromo-4-oxochromene-3-carboxamide
CID 162652057

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromo-4-oxochromene-3-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromo-4-oxochromene-3-carboxamide (CID 162659546) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromo-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromo-4-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromo-4-oxochromene-3-carboxamide is O=C(NCCC1CCN(Cc2ccccc2)CC1)c1coc2ccc(Br)cc2c1=O.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromo-4-oxochromene-3-carboxamide?
The InChIKey is YQIZRHGSFXSOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O3/c25-19-6-7-22-20(14-19)23(28)21(16-30-22)24(29)26-11-8-17-9-12-27(13-10-17)15-18-4-2-1-3-5-18/h1-7,14,16-17H,8-13,15H2,(H,26,29).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromo-4-oxochromene-3-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromo-4-oxochromene-3-carboxamide has a molecular weight of 469.38 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromo-4-oxochromene-3-carboxamide is sourced from PubChem (CID 162659546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).