2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide

C20H30N2O2 — CID 95631988

IUPAC2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCc1ccc(C)c(CC(=O)NC2CCN(C[C@@H]3CCOC3)CC2)c1
InChIInChI=1S/C20H30N2O2/c1-15-3-4-16(2)18(11-15)12-20(23)21-19-5-8-22(9-6-19)13-17-7-10-24-14-17/h3-4,11,17,19H,5-10,12-14H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyWQMWWNGZESSTPH-KRWDZBQOSA-N
MW330.47 g/mol
LogP2.46
Rot. Bonds5

About 2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide

2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 95631988) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide
PubChem CID95631988
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCc1ccc(C)c(CC(=O)NC2CCN(C[C@@H]3CCOC3)CC2)c1
InChIInChI=1S/C20H30N2O2/c1-15-3-4-16(2)18(11-15)12-20(23)21-19-5-8-22(9-6-19)13-17-7-10-24-14-17/h3-4,11,17,19H,5-10,12-14H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyWQMWWNGZESSTPH-KRWDZBQOSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide (CID 95631988) is 2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide is Cc1ccc(C)c(CC(=O)NC2CCN(C[C@@H]3CCOC3)CC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is WQMWWNGZESSTPH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15-3-4-16(2)18(11-15)12-20(23)21-19-5-8-22(9-6-19)13-17-7-10-24-14-17/h3-4,11,17,19H,5-10,12-14H2,1-2H3,(H,21,23)/t17-/m0/s1.
What are the key properties of 2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide?
2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 330.47 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 95631988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).