3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide

C22H35N3O2 — CID 113122956

IUPAC3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1)CCC(C)C
InChIInChI=1S/C22H35N3O2/c1-17(2)9-13-24(19(4)26)16-12-22(27)23-20-5-7-21(8-6-20)25-14-10-18(3)11-15-25/h5-8,17-18H,9-16H2,1-4H3,(H,23,27)
InChIKeyRJAPJIAMDSJBCQ-UHFFFAOYSA-N
MW373.54 g/mol
LogP4.15
Rot. Bonds8

About 3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide

3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide (PubChem CID 113122956) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
PubChem CID113122956
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1)CCC(C)C
InChIInChI=1S/C22H35N3O2/c1-17(2)9-13-24(19(4)26)16-12-22(27)23-20-5-7-21(8-6-20)25-14-10-18(3)11-15-25/h5-8,17-18H,9-16H2,1-4H3,(H,23,27)
InChIKeyRJAPJIAMDSJBCQ-UHFFFAOYSA-N
XLogP4.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide 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

3-[acetyl(2-methylpropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113116063
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136961
3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 109032069
2-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113153332
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113120493
2-[acetyl(cyclopropyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113158453
3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113120869
3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113136398
3-[acetyl(2-phenylethyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 113120870
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-(3-methylpyrrolidin-1-yl)-4-oxobutanamide
CID 86897059
2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113161313
2-[acetyl(2-methylpropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 113158964

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide (CID 113122956) is 3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide is CC(=O)N(CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1)CCC(C)C.
What is the InChIKey of 3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
The InChIKey is RJAPJIAMDSJBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-17(2)9-13-24(19(4)26)16-12-22(27)23-20-5-7-21(8-6-20)25-14-10-18(3)11-15-25/h5-8,17-18H,9-16H2,1-4H3,(H,23,27).
What are the key properties of 3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide has a molecular weight of 373.54 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 113122956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).