3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylpropanamide

C19H31N3O3S — CID 113145831

IUPAC3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylpropanamide
SMILESCCCNC(=O)CCN(c1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C19H31N3O3S/c1-4-12-20-19(23)11-15-22(26(3,24)25)18-7-5-17(6-8-18)21-13-9-16(2)10-14-21/h5-8,16H,4,9-15H2,1-3H3,(H,20,23)
InChIKeyCRRVKUUWIFJYRT-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.61
Rot. Bonds8

About 3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylpropanamide

3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylpropanamide (PubChem CID 113145831) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylpropanamide
PubChem CID113145831
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylpropanamide
SMILESCCCNC(=O)CCN(c1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C19H31N3O3S/c1-4-12-20-19(23)11-15-22(26(3,24)25)18-7-5-17(6-8-18)21-13-9-16(2)10-14-21/h5-8,16H,4,9-15H2,1-3H3,(H,20,23)
InChIKeyCRRVKUUWIFJYRT-UHFFFAOYSA-N
XLogP2.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylpropanamide 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

2-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylacetamide
CID 113156330
N-(2-methoxyethyl)-3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]propanamide
CID 113145839
3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 113142775
3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide
CID 113143520
3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113132121
3-(N-methylsulfonyl-4-piperidin-1-ylanilino)-N-propan-2-ylpropanamide
CID 113145813
N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141870
3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113136398
1-cyclopropyl-3-[2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)ethyl]urea
CID 113071369
3-(4-acetyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113145417
3-(3-bromo-N-methylsulfonylanilino)-N-propylpropanamide
CID 113146042
N-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 113144672

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylpropanamide?
The IUPAC name of 3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylpropanamide (CID 113145831) is 3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylpropanamide.
What is the SMILES notation for 3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylpropanamide?
The canonical SMILES for 3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylpropanamide is CCCNC(=O)CCN(c1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O.
What is the InChIKey of 3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylpropanamide?
The InChIKey is CRRVKUUWIFJYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-4-12-20-19(23)11-15-22(26(3,24)25)18-7-5-17(6-8-18)21-13-9-16(2)10-14-21/h5-8,16H,4,9-15H2,1-3H3,(H,20,23).
What are the key properties of 3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylpropanamide?
3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylpropanamide has a molecular weight of 381.54 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylpropanamide is sourced from PubChem (CID 113145831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).