N-(furan-2-ylmethyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide

C19H22N2O3 — CID 796248

IUPACN-(furan-2-ylmethyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)NCc3ccco3)CC2)cc1
InChIInChI=1S/C19H22N2O3/c1-14-4-6-16(7-5-14)19(23)21-10-8-15(9-11-21)18(22)20-13-17-3-2-12-24-17/h2-7,12,15H,8-11,13H2,1H3,(H,20,22)
InChIKeyZMAHMCAHODKBCM-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.76
Rot. Bonds4

About N-(furan-2-ylmethyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide

N-(furan-2-ylmethyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 796248) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
PubChem CID796248
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(furan-2-ylmethyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)NCc3ccco3)CC2)cc1
InChIInChI=1S/C19H22N2O3/c1-14-4-6-16(7-5-14)19(23)21-10-8-15(9-11-21)18(22)20-13-17-3-2-12-24-17/h2-7,12,15H,8-11,13H2,1H3,(H,20,22)
InChIKeyZMAHMCAHODKBCM-UHFFFAOYSA-N
XLogP2.76
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide (CID 796248) is N-(furan-2-ylmethyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide is Cc1ccc(C(=O)N2CCC(C(=O)NCc3ccco3)CC2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is ZMAHMCAHODKBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-4-6-16(7-5-14)19(23)21-10-8-15(9-11-21)18(22)20-13-17-3-2-12-24-17/h2-7,12,15H,8-11,13H2,1H3,(H,20,22).
What are the key properties of N-(furan-2-ylmethyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide?
N-(furan-2-ylmethyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 796248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).