1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide

C19H22N2O3 — CID 33280813

IUPAC1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1cccc(CNC(=O)C2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C19H22N2O3/c1-14-4-2-5-15(12-14)13-20-18(22)16-7-9-21(10-8-16)19(23)17-6-3-11-24-17/h2-6,11-12,16H,7-10,13H2,1H3,(H,20,22)
InChIKeyUBROEOKTKJOCOZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.76
Rot. Bonds4

About 1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide

1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 33280813) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID33280813
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1cccc(CNC(=O)C2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C19H22N2O3/c1-14-4-2-5-15(12-14)13-20-18(22)16-7-9-21(10-8-16)19(23)17-6-3-11-24-17/h2-6,11-12,16H,7-10,13H2,1H3,(H,20,22)
InChIKeyUBROEOKTKJOCOZ-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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Related Compounds

N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
N-[(3-methylphenyl)methyl]oxane-4-carboxamide
CID 30797255
1-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 71035260
N-[(5-bromo-2-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 55593776
N-[(3-methylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113004008
N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 46105694
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60912945
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55613801
1-(furan-2-carbonyl)-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 134008364
1-(furan-2-carbonyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 18139630
1-(furan-2-carbonyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 55980146

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide (CID 33280813) is 1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide is Cc1cccc(CNC(=O)C2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is UBROEOKTKJOCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-4-2-5-15(12-14)13-20-18(22)16-7-9-21(10-8-16)19(23)17-6-3-11-24-17/h2-6,11-12,16H,7-10,13H2,1H3,(H,20,22).
What are the key properties of 1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide?
1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]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 1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 33280813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).