6-[2-oxo-2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide

C26H26N4O4 — CID 58347519

IUPAC6-[2-oxo-2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(CC(=O)N2CCN(C(=O)c3cccc(OCc4ccccc4)c3)CC2)nc1
InChIInChI=1S/C26H26N4O4/c27-25(32)21-9-10-22(28-17-21)16-24(31)29-11-13-30(14-12-29)26(33)20-7-4-8-23(15-20)34-18-19-5-2-1-3-6-19/h1-10,15,17H,11-14,16,18H2,(H2,27,32)
InChIKeyCQZFDRBIQVVPDV-UHFFFAOYSA-N
MW458.52 g/mol
LogP2.29
Rot. Bonds7

About 6-[2-oxo-2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide

6-[2-oxo-2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide (PubChem CID 58347519) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 6-[2-oxo-2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-oxo-2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
PubChem CID58347519
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name6-[2-oxo-2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(CC(=O)N2CCN(C(=O)c3cccc(OCc4ccccc4)c3)CC2)nc1
InChIInChI=1S/C26H26N4O4/c27-25(32)21-9-10-22(28-17-21)16-24(31)29-11-13-30(14-12-29)26(33)20-7-4-8-23(15-20)34-18-19-5-2-1-3-6-19/h1-10,15,17H,11-14,16,18H2,(H2,27,32)
InChIKeyCQZFDRBIQVVPDV-UHFFFAOYSA-N
XLogP2.29
TPSA105.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-oxo-2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide with MolForge

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Related Compounds

3-[[3-[4-(2-pyridin-3-ylacetyl)piperazine-1-carbonyl]phenoxy]methyl]benzoic acid
CID 58347609
1-[4-[3-(3-phenylpropoxy)benzoyl]piperazin-1-yl]-2-pyrazin-2-ylethanone
CID 58347483
[4-(2-hydroxyethyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 71944477
1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58347886
1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 8004468
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 17449026
(4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 86826233
(3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 155462347
(3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 155462351
(4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 11175983
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 9415526

Frequently Asked Questions

What is the IUPAC name of 6-[2-oxo-2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-[2-oxo-2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide (CID 58347519) is 6-[2-oxo-2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-oxo-2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-oxo-2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide is NC(=O)c1ccc(CC(=O)N2CCN(C(=O)c3cccc(OCc4ccccc4)c3)CC2)nc1.
What is the InChIKey of 6-[2-oxo-2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is CQZFDRBIQVVPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c27-25(32)21-9-10-22(28-17-21)16-24(31)29-11-13-30(14-12-29)26(33)20-7-4-8-23(15-20)34-18-19-5-2-1-3-6-19/h1-10,15,17H,11-14,16,18H2,(H2,27,32).
What are the key properties of 6-[2-oxo-2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide?
6-[2-oxo-2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-oxo-2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 58347519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).