2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide

C20H30N2O2 — CID 165431669

IUPAC2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESCc1cccc(CN2CCC(CC(=O)NC3CCOCC3)CC2)c1
InChIInChI=1S/C20H30N2O2/c1-16-3-2-4-18(13-16)15-22-9-5-17(6-10-22)14-20(23)21-19-7-11-24-12-8-19/h2-4,13,17,19H,5-12,14-15H2,1H3,(H,21,23)
InChIKeyIHMJYLVRCQSXHX-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.89
Rot. Bonds5

About 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide

2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide (PubChem CID 165431669) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
PubChem CID165431669
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESCc1cccc(CN2CCC(CC(=O)NC3CCOCC3)CC2)c1
InChIInChI=1S/C20H30N2O2/c1-16-3-2-4-18(13-16)15-22-9-5-17(6-10-22)14-20(23)21-19-7-11-24-12-8-19/h2-4,13,17,19H,5-12,14-15H2,1H3,(H,21,23)
InChIKeyIHMJYLVRCQSXHX-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide
CID 17221703
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431902
N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30728730
2-(4-fluorophenyl)sulfanyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 55745273
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
[1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 25249252
N-(oxan-4-yl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 165431842
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927879
1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one
CID 55096319
2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 46482174
methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980866

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide (CID 165431669) is 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide is Cc1cccc(CN2CCC(CC(=O)NC3CCOCC3)CC2)c1.
What is the InChIKey of 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is IHMJYLVRCQSXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-16-3-2-4-18(13-16)15-22-9-5-17(6-10-22)14-20(23)21-19-7-11-24-12-8-19/h2-4,13,17,19H,5-12,14-15H2,1H3,(H,21,23).
What are the key properties of 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide?
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 330.47 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 165431669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).