2-(1-ethylpiperidin-4-yl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]acetamide

C20H31N3O — CID 72847306

IUPAC2-(1-ethylpiperidin-4-yl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]acetamide
SMILESCCN1CCC(CC(=O)N(C)Cc2ccc3c(c2)CN(C)C3)CC1
InChIInChI=1S/C20H31N3O/c1-4-23-9-7-16(8-10-23)12-20(24)22(3)13-17-5-6-18-14-21(2)15-19(18)11-17/h5-6,11,16H,4,7-10,12-15H2,1-3H3
InChIKeyNDNAQGNLBOGWSZ-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.71
Rot. Bonds5

About 2-(1-ethylpiperidin-4-yl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]acetamide

2-(1-ethylpiperidin-4-yl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]acetamide (PubChem CID 72847306) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]acetamide
PubChem CID72847306
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name2-(1-ethylpiperidin-4-yl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]acetamide
SMILESCCN1CCC(CC(=O)N(C)Cc2ccc3c(c2)CN(C)C3)CC1
InChIInChI=1S/C20H31N3O/c1-4-23-9-7-16(8-10-23)12-20(24)22(3)13-17-5-6-18-14-21(2)15-19(18)11-17/h5-6,11,16H,4,7-10,12-15H2,1-3H3
InChIKeyNDNAQGNLBOGWSZ-UHFFFAOYSA-N
XLogP2.71
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-ethylpiperidin-4-yl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]acetamide with MolForge

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Related Compounds

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3-Methyl-1-(4-naphthalen-2-ylmethyl-piperazin-1-yl)-butan-1-one
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2-(3,4-Dimethyl-phenyl)-1-(2-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethanone(HCl)
CID 14810979
2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindole-4-carboxamide
CID 50943478
2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindole-4-carboxamide
CID 50943479
1-[4-(1,3-Dihydroisoindol-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione
CID 134133064
N,N-diethyl-1-(2-naphthylmethyl)-3-piperidinecarboxamide
CID 2838328
2-[2-(Cyclohex-1-EN-1-YL)ethyl]-5-(3-methylpiperidine-1-carbonyl)-2,3-dihydro-1H-isoindole-1,3-dione
CID 3589270
(3R,3aR,7aS)-3-(3-methylphenyl)-2-prop-2-enyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 16060140
(3R,5S)-1-methyl-5-(4-methylphenyl)-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 44565156
2-[1-(2-methylpropyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
CID 122186793
(1R)-1,3-dimethyl-7-(pyrrolidin-1-ylmethyl)-1H-3-benzazepin-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]acetamide?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]acetamide (CID 72847306) is 2-(1-ethylpiperidin-4-yl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]acetamide is CCN1CCC(CC(=O)N(C)Cc2ccc3c(c2)CN(C)C3)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]acetamide?
The InChIKey is NDNAQGNLBOGWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-4-23-9-7-16(8-10-23)12-20(24)22(3)13-17-5-6-18-14-21(2)15-19(18)11-17/h5-6,11,16H,4,7-10,12-15H2,1-3H3.
What are the key properties of 2-(1-ethylpiperidin-4-yl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]acetamide?
2-(1-ethylpiperidin-4-yl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]acetamide has a molecular weight of 329.49 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]acetamide is sourced from PubChem (CID 72847306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).