N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]propanamide

C20H29N3O2S — CID 51329087

IUPACN-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]propanamide
SMILESCC1CCc2sc(C(=O)N3CCN(C(C)C(=O)NC4CC4)CC3)cc2C1
InChIInChI=1S/C20H29N3O2S/c1-13-3-6-17-15(11-13)12-18(26-17)20(25)23-9-7-22(8-10-23)14(2)19(24)21-16-4-5-16/h12-14,16H,3-11H2,1-2H3,(H,21,24)
InChIKeyPOLVKPWUNOHSDB-UHFFFAOYSA-N
MW375.54 g/mol
LogP2.30
Rot. Bonds4

About N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]propanamide (PubChem CID 51329087) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]propanamide
PubChem CID51329087
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC NameN-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]propanamide
SMILESCC1CCc2sc(C(=O)N3CCN(C(C)C(=O)NC4CC4)CC3)cc2C1
InChIInChI=1S/C20H29N3O2S/c1-13-3-6-17-15(11-13)12-18(26-17)20(25)23-9-7-22(8-10-23)14(2)19(24)21-16-4-5-16/h12-14,16H,3-11H2,1-2H3,(H,21,24)
InChIKeyPOLVKPWUNOHSDB-UHFFFAOYSA-N
XLogP2.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]propanamide 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-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]propanamide (CID 51329087) is N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]propanamide is CC1CCc2sc(C(=O)N3CCN(C(C)C(=O)NC4CC4)CC3)cc2C1.
What is the InChIKey of N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is POLVKPWUNOHSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-13-3-6-17-15(11-13)12-18(26-17)20(25)23-9-7-22(8-10-23)14(2)19(24)21-16-4-5-16/h12-14,16H,3-11H2,1-2H3,(H,21,24).
What are the key properties of N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 375.54 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 51329087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).