3-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide

C21H26N2O3 — CID 18149437

IUPAC3-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
SMILESCc1ccc(CCC(=O)NC2CCN(C(=O)c3ccco3)CC2)c(C)c1
InChIInChI=1S/C21H26N2O3/c1-15-5-6-17(16(2)14-15)7-8-20(24)22-18-9-11-23(12-10-18)21(25)19-4-3-13-26-19/h3-6,13-14,18H,7-12H2,1-2H3,(H,22,24)
InChIKeyQBYZGZPEGILJHU-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.25
Rot. Bonds5

About 3-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide

3-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide (PubChem CID 18149437) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
PubChem CID18149437
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
SMILESCc1ccc(CCC(=O)NC2CCN(C(=O)c3ccco3)CC2)c(C)c1
InChIInChI=1S/C21H26N2O3/c1-15-5-6-17(16(2)14-15)7-8-20(24)22-18-9-11-23(12-10-18)21(25)19-4-3-13-26-19/h3-6,13-14,18H,7-12H2,1-2H3,(H,22,24)
InChIKeyQBYZGZPEGILJHU-UHFFFAOYSA-N
XLogP3.25
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 18154917
3-(2,5-dimethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 46539288
methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820105
4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 51324491
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149409
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide
CID 134000252
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,4-dimethylphenyl)propanamide
CID 134047888
2-(2-tert-butyl-4-methylphenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 108552688
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18144349
N-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119475057
3-(2,4-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide
CID 95631970

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide (CID 18149437) is 3-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide is Cc1ccc(CCC(=O)NC2CCN(C(=O)c3ccco3)CC2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is QBYZGZPEGILJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-5-6-17(16(2)14-15)7-8-20(24)22-18-9-11-23(12-10-18)21(25)19-4-3-13-26-19/h3-6,13-14,18H,7-12H2,1-2H3,(H,22,24).
What are the key properties of 3-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide?
3-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 354.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 18149437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).