2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]acetamide

C21H33N3O2 — CID 72881292

IUPAC2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]acetamide
SMILESCc1ccccc1CN1CCC(CN(CC(N)=O)CC2CCCO2)CC1
InChIInChI=1S/C21H33N3O2/c1-17-5-2-3-6-19(17)14-23-10-8-18(9-11-23)13-24(16-21(22)25)15-20-7-4-12-26-20/h2-3,5-6,18,20H,4,7-16H2,1H3,(H2,22,25)
InChIKeyFIIMILCFBSIRRV-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.17
Rot. Bonds8

About 2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]acetamide

2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]acetamide (PubChem CID 72881292) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound Name2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]acetamide
PubChem CID72881292
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]acetamide
SMILESCc1ccccc1CN1CCC(CN(CC(N)=O)CC2CCCO2)CC1
InChIInChI=1S/C21H33N3O2/c1-17-5-2-3-6-19(17)14-23-10-8-18(9-11-23)13-24(16-21(22)25)15-20-7-4-12-26-20/h2-3,5-6,18,20H,4,7-16H2,1H3,(H2,22,25)
InChIKeyFIIMILCFBSIRRV-UHFFFAOYSA-N
XLogP2.17
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]acetic acid
CID 97285148
2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 97273079
2-(diethylamino)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 42557577
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 72927308
N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine
CID 45202660
1-[4-[[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]thiophen-2-yl]ethanone
CID 45212523
4-methoxy-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42527604
3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 45203929
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 42214950
4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
CID 42566535
2-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 45193260
5-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 45221593

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]acetamide?
The IUPAC name of 2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]acetamide (CID 72881292) is 2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for 2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]acetamide?
The canonical SMILES for 2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]acetamide is Cc1ccccc1CN1CCC(CN(CC(N)=O)CC2CCCO2)CC1.
What is the InChIKey of 2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]acetamide?
The InChIKey is FIIMILCFBSIRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-17-5-2-3-6-19(17)14-23-10-8-18(9-11-23)13-24(16-21(22)25)15-20-7-4-12-26-20/h2-3,5-6,18,20H,4,7-16H2,1H3,(H2,22,25).
What are the key properties of 2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]acetamide?
2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]acetamide has a molecular weight of 359.51 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 72881292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).