N-ethyl-N-[1-[3-(4-methylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide

C30H44N4O3S — CID 3011719

IUPACN-ethyl-N-[1-[3-(4-methylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide
SMILESCCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCN(C)CC2)CC1
InChIInChI=1S/C30H44N4O3S/c1-4-34(30(35)24-25-10-12-28(13-11-25)38(3,36)37)27-14-17-32(18-15-27)19-16-29(26-8-6-5-7-9-26)33-22-20-31(2)21-23-33/h5-13,27,29H,4,14-24H2,1-3H3
InChIKeyJVEDYEAHCZWSNS-UHFFFAOYSA-N
MW540.77 g/mol
LogP3.32
Rot. Bonds10

About N-ethyl-N-[1-[3-(4-methylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide

N-ethyl-N-[1-[3-(4-methylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 3011719) has the molecular formula C30H44N4O3S and a molecular weight of 540.77 g/mol. Its IUPAC name is N-ethyl-N-[1-[3-(4-methylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[1-[3-(4-methylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide
PubChem CID3011719
Molecular FormulaC30H44N4O3S
Molecular Weight540.77 g/mol
Exact Mass540.31
IUPAC NameN-ethyl-N-[1-[3-(4-methylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide
SMILESCCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCN(C)CC2)CC1
InChIInChI=1S/C30H44N4O3S/c1-4-34(30(35)24-25-10-12-28(13-11-25)38(3,36)37)27-14-17-32(18-15-27)19-16-29(26-8-6-5-7-9-26)33-22-20-31(2)21-23-33/h5-13,27,29H,4,14-24H2,1-3H3
InChIKeyJVEDYEAHCZWSNS-UHFFFAOYSA-N
XLogP3.32
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.77
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-ethyl-N-[1-[3-(4-methylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-[3-(4-methylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-ethyl-N-[1-[3-(4-methylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide (CID 3011719) is N-ethyl-N-[1-[3-(4-methylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-ethyl-N-[1-[3-(4-methylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-ethyl-N-[1-[3-(4-methylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide is CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCN(C)CC2)CC1.
What is the InChIKey of N-ethyl-N-[1-[3-(4-methylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is JVEDYEAHCZWSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N4O3S/c1-4-34(30(35)24-25-10-12-28(13-11-25)38(3,36)37)27-14-17-32(18-15-27)19-16-29(26-8-6-5-7-9-26)33-22-20-31(2)21-23-33/h5-13,27,29H,4,14-24H2,1-3H3.
What are the key properties of N-ethyl-N-[1-[3-(4-methylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide?
N-ethyl-N-[1-[3-(4-methylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 540.77 g/mol, XLogP of 3.32, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-[3-(4-methylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 3011719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).