3-(2,4-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide

C21H32N2O2 — CID 95631970

IUPAC3-(2,4-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide
SMILESCc1ccc(CCC(=O)NC2CCN(C[C@@H]3CCOC3)CC2)c(C)c1
InChIInChI=1S/C21H32N2O2/c1-16-3-4-19(17(2)13-16)5-6-21(24)22-20-7-10-23(11-8-20)14-18-9-12-25-15-18/h3-4,13,18,20H,5-12,14-15H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyGOWWCHFDDYDHOP-SFHVURJKSA-N
MW344.50 g/mol
LogP2.85
Rot. Bonds6

About 3-(2,4-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide

3-(2,4-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide (PubChem CID 95631970) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide
PubChem CID95631970
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name3-(2,4-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide
SMILESCc1ccc(CCC(=O)NC2CCN(C[C@@H]3CCOC3)CC2)c(C)c1
InChIInChI=1S/C21H32N2O2/c1-16-3-4-19(17(2)13-16)5-6-21(24)22-20-7-10-23(11-8-20)14-18-9-12-25-15-18/h3-4,13,18,20H,5-12,14-15H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyGOWWCHFDDYDHOP-SFHVURJKSA-N
XLogP2.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide
CID 95631988
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,4-dimethylphenyl)propanamide
CID 134047888
3-(2,4-dimethylphenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide
CID 51098799
N-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119475057
3-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 18149437
4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 51324491
3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 91645265
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119455766
3-amino-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-phenylpropanamide
CID 119953980
3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601203
N-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
CID 129436285
4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine
CID 155201522

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide (CID 95631970) is 3-(2,4-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide is Cc1ccc(CCC(=O)NC2CCN(C[C@@H]3CCOC3)CC2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide?
The InChIKey is GOWWCHFDDYDHOP-SFHVURJKSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-16-3-4-19(17(2)13-16)5-6-21(24)22-20-7-10-23(11-8-20)14-18-9-12-25-15-18/h3-4,13,18,20H,5-12,14-15H2,1-2H3,(H,22,24)/t18-/m0/s1.
What are the key properties of 3-(2,4-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide?
3-(2,4-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide has a molecular weight of 344.50 g/mol, XLogP of 2.85, 6 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-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 95631970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).