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

C21H26N2O3 — CID 134054283

IUPAC1-(furan-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)C2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C21H26N2O3/c1-15-6-8-17(9-7-15)16(2)22(3)20(24)18-10-12-23(13-11-18)21(25)19-5-4-14-26-19/h4-9,14,16,18H,10-13H2,1-3H3
InChIKeyYOHMBVIENNELLG-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.66
Rot. Bonds4

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

1-(furan-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 134054283) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID134054283
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-(furan-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)C2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C21H26N2O3/c1-15-6-8-17(9-7-15)16(2)22(3)20(24)18-10-12-23(13-11-18)21(25)19-5-4-14-26-19/h4-9,14,16,18H,10-13H2,1-3H3
InChIKeyYOHMBVIENNELLG-UHFFFAOYSA-N
XLogP3.66
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(furan-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(furan-2-carbonyl)-N-methoxy-N-methylpiperidine-4-carboxamide
CID 78814076
N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-4-carboxamide
CID 126471519
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686874
1-(furan-2-carbonyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 16564266
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
N-[1-(4-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 42951798
N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 34152158
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 55403557
1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 33280813
(E)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-(4-methylphenyl)pent-2-en-1-one
CID 110414452

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide (CID 134054283) is 1-(furan-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide is Cc1ccc(C(C)N(C)C(=O)C2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is YOHMBVIENNELLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-6-8-17(9-7-15)16(2)22(3)20(24)18-10-12-23(13-11-18)21(25)19-5-4-14-26-19/h4-9,14,16,18H,10-13H2,1-3H3.
What are the key properties of 1-(furan-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide?
1-(furan-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 134054283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).