1-N-benzyl-3-N-(furan-2-ylmethyl)-5-phenylpiperidine-1,3-dicarboxamide

C25H27N3O3 — CID 46065319

IUPAC1-N-benzyl-3-N-(furan-2-ylmethyl)-5-phenylpiperidine-1,3-dicarboxamide
SMILESO=C(NCc1ccco1)C1CC(c2ccccc2)CN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C25H27N3O3/c29-24(26-16-23-12-7-13-31-23)22-14-21(20-10-5-2-6-11-20)17-28(18-22)25(30)27-15-19-8-3-1-4-9-19/h1-13,21-22H,14-18H2,(H,26,29)(H,27,30)
InChIKeyOCRMVRNVEHDDLT-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.91
Rot. Bonds6

About 1-N-benzyl-3-N-(furan-2-ylmethyl)-5-phenylpiperidine-1,3-dicarboxamide

1-N-benzyl-3-N-(furan-2-ylmethyl)-5-phenylpiperidine-1,3-dicarboxamide (PubChem CID 46065319) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-N-benzyl-3-N-(furan-2-ylmethyl)-5-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-3-N-(furan-2-ylmethyl)-5-phenylpiperidine-1,3-dicarboxamide
PubChem CID46065319
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name1-N-benzyl-3-N-(furan-2-ylmethyl)-5-phenylpiperidine-1,3-dicarboxamide
SMILESO=C(NCc1ccco1)C1CC(c2ccccc2)CN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C25H27N3O3/c29-24(26-16-23-12-7-13-31-23)22-14-21(20-10-5-2-6-11-20)17-28(18-22)25(30)27-15-19-8-3-1-4-9-19/h1-13,21-22H,14-18H2,(H,26,29)(H,27,30)
InChIKeyOCRMVRNVEHDDLT-UHFFFAOYSA-N
XLogP3.91
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5R)-1-(2-fluorobenzoyl)-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide
CID 92994796
(3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994779
(3S,5S)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994782
1-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide
CID 42865550
1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide
CID 42865414
(3S,5R)-N-benzyl-1-(2-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 92994800
(3S)-3-N-(furan-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435298
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
4-[(3R)-1-(furan-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid
CID 97203993
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
3-N-benzyl-5-(3,4-dimethoxyphenyl)-1-N-ethylpiperidine-1,3-dicarboxamide
CID 46065367
1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 46067504

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-3-N-(furan-2-ylmethyl)-5-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-benzyl-3-N-(furan-2-ylmethyl)-5-phenylpiperidine-1,3-dicarboxamide (CID 46065319) is 1-N-benzyl-3-N-(furan-2-ylmethyl)-5-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-3-N-(furan-2-ylmethyl)-5-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-benzyl-3-N-(furan-2-ylmethyl)-5-phenylpiperidine-1,3-dicarboxamide is O=C(NCc1ccco1)C1CC(c2ccccc2)CN(C(=O)NCc2ccccc2)C1.
What is the InChIKey of 1-N-benzyl-3-N-(furan-2-ylmethyl)-5-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is OCRMVRNVEHDDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c29-24(26-16-23-12-7-13-31-23)22-14-21(20-10-5-2-6-11-20)17-28(18-22)25(30)27-15-19-8-3-1-4-9-19/h1-13,21-22H,14-18H2,(H,26,29)(H,27,30).
What are the key properties of 1-N-benzyl-3-N-(furan-2-ylmethyl)-5-phenylpiperidine-1,3-dicarboxamide?
1-N-benzyl-3-N-(furan-2-ylmethyl)-5-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-3-N-(furan-2-ylmethyl)-5-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 46065319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).