3-[(3S)-1-benzoylpiperidin-3-yl]-N-(furan-2-ylmethyl)benzamide

C24H24N2O3 — CID 92872465

IUPAC3-[(3S)-1-benzoylpiperidin-3-yl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1cccc([C@@H]2CCCN(C(=O)c3ccccc3)C2)c1
InChIInChI=1S/C24H24N2O3/c27-23(25-16-22-12-6-14-29-22)20-10-4-9-19(15-20)21-11-5-13-26(17-21)24(28)18-7-2-1-3-8-18/h1-4,6-10,12,14-15,21H,5,11,13,16-17H2,(H,25,27)/t21-/m1/s1
InChIKeySQXVHFGBTHUSHV-OAQYLSRUSA-N
MW388.47 g/mol
LogP4.23
Rot. Bonds5

About 3-[(3S)-1-benzoylpiperidin-3-yl]-N-(furan-2-ylmethyl)benzamide

3-[(3S)-1-benzoylpiperidin-3-yl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 92872465) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-[(3S)-1-benzoylpiperidin-3-yl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(3S)-1-benzoylpiperidin-3-yl]-N-(furan-2-ylmethyl)benzamide
PubChem CID92872465
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name3-[(3S)-1-benzoylpiperidin-3-yl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1cccc([C@@H]2CCCN(C(=O)c3ccccc3)C2)c1
InChIInChI=1S/C24H24N2O3/c27-23(25-16-22-12-6-14-29-22)20-10-4-9-19(15-20)21-11-5-13-26(17-21)24(28)18-7-2-1-3-8-18/h1-4,6-10,12,14-15,21H,5,11,13,16-17H2,(H,25,27)/t21-/m1/s1
InChIKeySQXVHFGBTHUSHV-OAQYLSRUSA-N
XLogP4.23
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 46333935
3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 92872473
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
N-(furan-2-ylmethyl)-3-[[[N-methyl-C-(3-phenylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]benzamide
CID 111723923
4-[(3R)-1-(furan-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid
CID 97203993
N-[(4-ethylphenyl)methyl]-3-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 92872462
3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 92872341
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053497
N-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide
CID 110900329
N-(4-ethoxyphenyl)-3-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334076
N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 93199355

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-benzoylpiperidin-3-yl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[(3S)-1-benzoylpiperidin-3-yl]-N-(furan-2-ylmethyl)benzamide (CID 92872465) is 3-[(3S)-1-benzoylpiperidin-3-yl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(3S)-1-benzoylpiperidin-3-yl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(3S)-1-benzoylpiperidin-3-yl]-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1cccc([C@@H]2CCCN(C(=O)c3ccccc3)C2)c1.
What is the InChIKey of 3-[(3S)-1-benzoylpiperidin-3-yl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is SQXVHFGBTHUSHV-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-23(25-16-22-12-6-14-29-22)20-10-4-9-19(15-20)21-11-5-13-26(17-21)24(28)18-7-2-1-3-8-18/h1-4,6-10,12,14-15,21H,5,11,13,16-17H2,(H,25,27)/t21-/m1/s1.
What are the key properties of 3-[(3S)-1-benzoylpiperidin-3-yl]-N-(furan-2-ylmethyl)benzamide?
3-[(3S)-1-benzoylpiperidin-3-yl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 388.47 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-benzoylpiperidin-3-yl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 92872465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).