[(2S,4S)-2-methylpiperidin-4-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone

C22H32N4O — CID 120636549

About [(2S,4S)-2-methylpiperidin-4-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone

[(2S,4S)-2-methylpiperidin-4-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 120636549) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is [(2S,4S)-2-methylpiperidin-4-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [(2S,4S)-2-methylpiperidin-4-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
• PubChem CID: 120636549
• Molecular Formula: C22H32N4O
• Molecular Weight: 368.53 g/mol
• Exact Mass: 368.26
• IUPAC Name: [(2S,4S)-2-methylpiperidin-4-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
• SMILES: CC(C)n1c(C2CCCN(C(=O)[C@H]3CCN[C@@H](C)C3)C2)nc2ccccc21
• InChI: InChI=1S/C22H32N4O/c1-15(2)26-20-9-5-4-8-19(20)24-21(26)18-7-6-12-25(14-18)22(27)17-10-11-23-16(3)13-17/h4-5,8-9,15-18,23H,6-7,10-14H2,1-3H3/t16-,17-,18?/m0/s1
• InChIKey: FXVOFGPWFJBNDF-UBFHEZILSA-N
• XLogP: 3.71
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.53
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone?

The IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone (CID 120636549) is [(2S,4S)-2-methylpiperidin-4-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone.

What is the SMILES notation for [(2S,4S)-2-methylpiperidin-4-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone?

The canonical SMILES for [(2S,4S)-2-methylpiperidin-4-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone is CC(C)n1c(C2CCCN(C(=O)[C@H]3CCN[C@@H](C)C3)C2)nc2ccccc21.

What is the InChIKey of [(2S,4S)-2-methylpiperidin-4-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone?

The InChIKey is FXVOFGPWFJBNDF-UBFHEZILSA-N. The full InChI is InChI=1S/C22H32N4O/c1-15(2)26-20-9-5-4-8-19(20)24-21(26)18-7-6-12-25(14-18)22(27)17-10-11-23-16(3)13-17/h4-5,8-9,15-18,23H,6-7,10-14H2,1-3H3/t16-,17-,18?/m0/s1.

What are the key properties of [(2S,4S)-2-methylpiperidin-4-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone?

[(2S,4S)-2-methylpiperidin-4-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 368.53 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,4S)-2-methylpiperidin-4-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 120636549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).