2-(4-cyano-4-phenylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide

C25H29N3O3 — CID 44760415

IUPAC2-(4-cyano-4-phenylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESN#CC1(c2ccccc2)CCN(C(=O)C2CCCCC2C(=O)NCc2ccco2)CC1
InChIInChI=1S/C25H29N3O3/c26-18-25(19-7-2-1-3-8-19)12-14-28(15-13-25)24(30)22-11-5-4-10-21(22)23(29)27-17-20-9-6-16-31-20/h1-3,6-9,16,21-22H,4-5,10-15,17H2,(H,27,29)
InChIKeyDIXJIFFYZIKJTK-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.79
Rot. Bonds5

About 2-(4-cyano-4-phenylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide

2-(4-cyano-4-phenylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 44760415) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-(4-cyano-4-phenylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(4-cyano-4-phenylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID44760415
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name2-(4-cyano-4-phenylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESN#CC1(c2ccccc2)CCN(C(=O)C2CCCCC2C(=O)NCc2ccco2)CC1
InChIInChI=1S/C25H29N3O3/c26-18-25(19-7-2-1-3-8-19)12-14-28(15-13-25)24(30)22-11-5-4-10-21(22)23(29)27-17-20-9-6-16-31-20/h1-3,6-9,16,21-22H,4-5,10-15,17H2,(H,27,29)
InChIKeyDIXJIFFYZIKJTK-UHFFFAOYSA-N
XLogP3.79
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile
CID 110711530
N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131808
2-amino-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 64816984
(2S)-6-[(2S)-2-cyclopentyl-2-phenylacetyl]-N-(furan-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42539996
N-(furan-2-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 134072540
(3S)-3-N-(furan-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435298
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097630
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 51094831
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 95563646
2-[2-(furan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 54867947

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-4-phenylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-(4-cyano-4-phenylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide (CID 44760415) is 2-(4-cyano-4-phenylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(4-cyano-4-phenylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-(4-cyano-4-phenylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide is N#CC1(c2ccccc2)CCN(C(=O)C2CCCCC2C(=O)NCc2ccco2)CC1.
What is the InChIKey of 2-(4-cyano-4-phenylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is DIXJIFFYZIKJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c26-18-25(19-7-2-1-3-8-19)12-14-28(15-13-25)24(30)22-11-5-4-10-21(22)23(29)27-17-20-9-6-16-31-20/h1-3,6-9,16,21-22H,4-5,10-15,17H2,(H,27,29).
What are the key properties of 2-(4-cyano-4-phenylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide?
2-(4-cyano-4-phenylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-4-phenylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 44760415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).