1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]ethanone

C22H34N2O3 — CID 60500781

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]ethanone
SMILESCOc1ccccc1CN(CC(=O)N1CC(C)CC(C)C1)CC1CCCO1
InChIInChI=1S/C22H34N2O3/c1-17-11-18(2)13-24(12-17)22(25)16-23(15-20-8-6-10-27-20)14-19-7-4-5-9-21(19)26-3/h4-5,7,9,17-18,20H,6,8,10-16H2,1-3H3
InChIKeyPZHGGCVEOWHXCI-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.18
Rot. Bonds7

About 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]ethanone (PubChem CID 60500781) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]ethanone
PubChem CID60500781
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]ethanone
SMILESCOc1ccccc1CN(CC(=O)N1CC(C)CC(C)C1)CC1CCCO1
InChIInChI=1S/C22H34N2O3/c1-17-11-18(2)13-24(12-17)22(25)16-23(15-20-8-6-10-27-20)14-19-7-4-5-9-21(19)26-3/h4-5,7,9,17-18,20H,6,8,10-16H2,1-3H3
InChIKeyPZHGGCVEOWHXCI-UHFFFAOYSA-N
XLogP3.18
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]ethanone with MolForge

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Related Compounds

2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 55832698
2-[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 94402680
N-(4-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 78899690
N-[(2-fluorophenyl)methyl]-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 60501069
N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 87018083
N-[4-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]acetamide
CID 51497374
N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide
CID 75910284
N-[(2-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95275137
4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119729693
N-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 60500846
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729703
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 51493246

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]ethanone (CID 60500781) is 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]ethanone is COc1ccccc1CN(CC(=O)N1CC(C)CC(C)C1)CC1CCCO1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]ethanone?
The InChIKey is PZHGGCVEOWHXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-17-11-18(2)13-24(12-17)22(25)16-23(15-20-8-6-10-27-20)14-19-7-4-5-9-21(19)26-3/h4-5,7,9,17-18,20H,6,8,10-16H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]ethanone has a molecular weight of 374.53 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]ethanone is sourced from PubChem (CID 60500781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).