N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(1-methylpyrrolidin-3-yl)-1-benzothiophene-2-carboxamide

C23H29N3O2S — CID 110251356

IUPACN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(1-methylpyrrolidin-3-yl)-1-benzothiophene-2-carboxamide
SMILESCN1CCC(c2c(C(=O)NC3CCN(C(=O)C4CC4)CC3)sc3ccccc23)C1
InChIInChI=1S/C23H29N3O2S/c1-25-11-8-16(14-25)20-18-4-2-3-5-19(18)29-21(20)22(27)24-17-9-12-26(13-10-17)23(28)15-6-7-15/h2-5,15-17H,6-14H2,1H3,(H,24,27)
InChIKeyBOMXRRLDJZLMOJ-UHFFFAOYSA-N
MW411.57 g/mol
LogP3.45
Rot. Bonds4

About N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(1-methylpyrrolidin-3-yl)-1-benzothiophene-2-carboxamide

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(1-methylpyrrolidin-3-yl)-1-benzothiophene-2-carboxamide (PubChem CID 110251356) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(1-methylpyrrolidin-3-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(1-methylpyrrolidin-3-yl)-1-benzothiophene-2-carboxamide
PubChem CID110251356
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(1-methylpyrrolidin-3-yl)-1-benzothiophene-2-carboxamide
SMILESCN1CCC(c2c(C(=O)NC3CCN(C(=O)C4CC4)CC3)sc3ccccc23)C1
InChIInChI=1S/C23H29N3O2S/c1-25-11-8-16(14-25)20-18-4-2-3-5-19(18)29-21(20)22(27)24-17-9-12-26(13-10-17)23(28)15-6-7-15/h2-5,15-17H,6-14H2,1H3,(H,24,27)
InChIKeyBOMXRRLDJZLMOJ-UHFFFAOYSA-N
XLogP3.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(1-methylpyrrolidin-3-yl)-1-benzothiophene-2-carboxamide 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-[4-(acetamidomethyl)cyclohexyl]-N-(1-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide
CID 98126412
N-methyl-3-[1-(1-methylindole-3-carbonyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 110255948
N-propan-2-yl-3-[(3R)-1-(4-pyrrolidin-1-ylbutanoyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 95812566
3-[(3S)-1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-3-yl]-N-methyl-1-benzothiophene-2-carboxamide
CID 95812719
3-[1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)-1-benzothiophene-2-carboxamide
CID 110251137
3-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 110089087
3-[(3R)-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 124941306
N-(2-hydroxyethyl)-3-[(3S)-1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 95812472
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
3-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 110089083
(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide
CID 95592066
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(1-methylpyrrolidin-3-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(1-methylpyrrolidin-3-yl)-1-benzothiophene-2-carboxamide (CID 110251356) is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(1-methylpyrrolidin-3-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(1-methylpyrrolidin-3-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(1-methylpyrrolidin-3-yl)-1-benzothiophene-2-carboxamide is CN1CCC(c2c(C(=O)NC3CCN(C(=O)C4CC4)CC3)sc3ccccc23)C1.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(1-methylpyrrolidin-3-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is BOMXRRLDJZLMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-25-11-8-16(14-25)20-18-4-2-3-5-19(18)29-21(20)22(27)24-17-9-12-26(13-10-17)23(28)15-6-7-15/h2-5,15-17H,6-14H2,1H3,(H,24,27).
What are the key properties of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(1-methylpyrrolidin-3-yl)-1-benzothiophene-2-carboxamide?
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(1-methylpyrrolidin-3-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 411.57 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(1-methylpyrrolidin-3-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110251356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).