1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone

C19H30N4O — CID 129341613

IUPAC1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESC[C@H]1CCCN(C(=O)CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)C1
InChIInChI=1S/C19H30N4O/c1-14-6-4-11-23(12-14)18(24)13-22-10-5-9-17(22)19-20-15-7-2-3-8-16(15)21-19/h14,17H,2-13H2,1H3,(H,20,21)/t14-,17+/m0/s1
InChIKeyRPJZBZRWINYSRA-WMLDXEAASA-N
MW330.48 g/mol
LogP2.68
Rot. Bonds3

About 1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone

1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 129341613) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID129341613
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESC[C@H]1CCCN(C(=O)CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)C1
InChIInChI=1S/C19H30N4O/c1-14-6-4-11-23(12-14)18(24)13-22-10-5-9-17(22)19-20-15-7-2-3-8-16(15)21-19/h14,17H,2-13H2,1H3,(H,20,21)/t14-,17+/m0/s1
InChIKeyRPJZBZRWINYSRA-WMLDXEAASA-N
XLogP2.68
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone 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 1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone (CID 129341613) is 1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone is C[C@H]1CCCN(C(=O)CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)C1.
What is the InChIKey of 1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is RPJZBZRWINYSRA-WMLDXEAASA-N. The full InChI is InChI=1S/C19H30N4O/c1-14-6-4-11-23(12-14)18(24)13-22-10-5-9-17(22)19-20-15-7-2-3-8-16(15)21-19/h14,17H,2-13H2,1H3,(H,20,21)/t14-,17+/m0/s1.
What are the key properties of 1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 330.48 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 129341613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).