3-[(3S)-1-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidin-3-yl]propanamide

C18H24N2OS — CID 95711145

IUPAC3-[(3S)-1-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidin-3-yl]propanamide
SMILESCc1sc2ccccc2c1CN1CCC[C@@H](CCC(N)=O)C1
InChIInChI=1S/C18H24N2OS/c1-13-16(15-6-2-3-7-17(15)22-13)12-20-10-4-5-14(11-20)8-9-18(19)21/h2-3,6-7,14H,4-5,8-12H2,1H3,(H2,19,21)/t14-/m0/s1
InChIKeyMZPVUHWHWIWDMW-AWEZNQCLSA-N
MW316.47 g/mol
LogP3.69
Rot. Bonds5

About 3-[(3S)-1-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidin-3-yl]propanamide

3-[(3S)-1-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidin-3-yl]propanamide (PubChem CID 95711145) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 3-[(3S)-1-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[(3S)-1-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidin-3-yl]propanamide
PubChem CID95711145
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name3-[(3S)-1-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidin-3-yl]propanamide
SMILESCc1sc2ccccc2c1CN1CCC[C@@H](CCC(N)=O)C1
InChIInChI=1S/C18H24N2OS/c1-13-16(15-6-2-3-7-17(15)22-13)12-20-10-4-5-14(11-20)8-9-18(19)21/h2-3,6-7,14H,4-5,8-12H2,1H3,(H2,19,21)/t14-/m0/s1
InChIKeyMZPVUHWHWIWDMW-AWEZNQCLSA-N
XLogP3.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3S)-1-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidin-3-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

Related Compounds

3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide
CID 95716606
3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 75514876
3-[(3-aminopiperidin-1-yl)methyl]-1-benzothiophene-2-carboxylic acid
CID 61403458
1-[6-hydroxy-4-[(2-methyl-1-benzothiophen-3-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 72907590
3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
CID 95722904
3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
CID 95708835
3-[(3S)-1-[(2R)-2-methoxy-2-phenylethyl]piperidin-3-yl]propanamide
CID 124843943
3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide
CID 97157958
3-[1-[(Z)-4-methyl-2-phenylpent-2-enyl]piperidin-3-yl]propanamide
CID 131925370
2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]acetamide
CID 97160286
3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-1-benzothiophene-2-carboxylic acid
CID 114679074
[(4aS,8aS)-1-methyl-7-[(2-methyl-1-benzothiophen-3-yl)methyl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol
CID 135101364

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidin-3-yl]propanamide?
The IUPAC name of 3-[(3S)-1-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidin-3-yl]propanamide (CID 95711145) is 3-[(3S)-1-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[(3S)-1-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidin-3-yl]propanamide?
The canonical SMILES for 3-[(3S)-1-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidin-3-yl]propanamide is Cc1sc2ccccc2c1CN1CCC[C@@H](CCC(N)=O)C1.
What is the InChIKey of 3-[(3S)-1-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidin-3-yl]propanamide?
The InChIKey is MZPVUHWHWIWDMW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-13-16(15-6-2-3-7-17(15)22-13)12-20-10-4-5-14(11-20)8-9-18(19)21/h2-3,6-7,14H,4-5,8-12H2,1H3,(H2,19,21)/t14-/m0/s1.
What are the key properties of 3-[(3S)-1-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidin-3-yl]propanamide?
3-[(3S)-1-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidin-3-yl]propanamide has a molecular weight of 316.47 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 95711145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).