1-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide

C25H27N3O3 — CID 78829146

IUPAC1-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(CC(=O)N(Cc2ccco2)c2ccccc2)C1
InChIInChI=1S/C25H27N3O3/c29-24(28(18-23-14-8-16-31-23)22-12-5-2-6-13-22)19-27-15-7-9-20(17-27)25(30)26-21-10-3-1-4-11-21/h1-6,8,10-14,16,20H,7,9,15,17-19H2,(H,26,30)
InChIKeyISLDIJJDIRLSRN-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.16
Rot. Bonds7

About 1-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide

1-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 78829146) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
PubChem CID78829146
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name1-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(CC(=O)N(Cc2ccco2)c2ccccc2)C1
InChIInChI=1S/C25H27N3O3/c29-24(28(18-23-14-8-16-31-23)22-12-5-2-6-13-22)19-27-15-7-9-20(17-27)25(30)26-21-10-3-1-4-11-21/h1-6,8,10-14,16,20H,7,9,15,17-19H2,(H,26,30)
InChIKeyISLDIJJDIRLSRN-UHFFFAOYSA-N
XLogP4.16
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide
CID 111113787
(3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 42538408
N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-phenylacetamide
CID 78904271
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid
CID 124576176
(3S)-3-N-(furan-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435298
1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide
CID 43918962
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
N-[4-(furan-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 45175122
(3R)-1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 42538132
1-(furan-2-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 24790060

Frequently Asked Questions

What is the IUPAC name of 1-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide (CID 78829146) is 1-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide is O=C(Nc1ccccc1)C1CCCN(CC(=O)N(Cc2ccco2)c2ccccc2)C1.
What is the InChIKey of 1-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is ISLDIJJDIRLSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c29-24(28(18-23-14-8-16-31-23)22-12-5-2-6-13-22)19-27-15-7-9-20(17-27)25(30)26-21-10-3-1-4-11-21/h1-6,8,10-14,16,20H,7,9,15,17-19H2,(H,26,30).
What are the key properties of 1-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
1-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 78829146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).