2-[cyclopropyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide

C22H33N3O2 — CID 84562381

IUPAC2-[cyclopropyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(CCC(=O)N1CCCC(C)C1)C1CC1
InChIInChI=1S/C22H33N3O2/c1-16-6-5-12-25(14-16)21(27)11-13-24(19-9-10-19)15-20(26)23-22-17(2)7-4-8-18(22)3/h4,7-8,16,19H,5-6,9-15H2,1-3H3,(H,23,26)
InChIKeyOYCRTHLCBHSNOU-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.35
Rot. Bonds7

About 2-[cyclopropyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide

2-[cyclopropyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 84562381) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID84562381
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name2-[cyclopropyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(CCC(=O)N1CCCC(C)C1)C1CC1
InChIInChI=1S/C22H33N3O2/c1-16-6-5-12-25(14-16)21(27)11-13-24(19-9-10-19)15-20(26)23-22-17(2)7-4-8-18(22)3/h4,7-8,16,19H,5-6,9-15H2,1-3H3,(H,23,26)
InChIKeyOYCRTHLCBHSNOU-UHFFFAOYSA-N
XLogP3.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 84566512
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide
CID 84565827
2-[cyclopropyl-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 84561922
2-[cyclopropyl-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 84562373
2-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide
CID 84562402
2-[3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoylamino]pentanoic acid
CID 84565877
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(4-hydroxyphenyl)propanamide
CID 84566689
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 84567313
3-[3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoylamino]propanoic acid
CID 84565869
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-methylphenyl)propanamide
CID 84567301
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-octan-3-ylpropanamide
CID 84566499
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
CID 84565854

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[cyclopropyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide (CID 84562381) is 2-[cyclopropyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN(CCC(=O)N1CCCC(C)C1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is OYCRTHLCBHSNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-16-6-5-12-25(14-16)21(27)11-13-24(19-9-10-19)15-20(26)23-22-17(2)7-4-8-18(22)3/h4,7-8,16,19H,5-6,9-15H2,1-3H3,(H,23,26).
What are the key properties of 2-[cyclopropyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide?
2-[cyclopropyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 371.53 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 84562381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).