(3S)-N-ethyl-2-methyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C22H33N5O — CID 95872570

About (3S)-N-ethyl-2-methyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

(3S)-N-ethyl-2-methyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95872570) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is (3S)-N-ethyl-2-methyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-ethyl-2-methyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
• PubChem CID: 95872570
• Molecular Formula: C22H33N5O
• Molecular Weight: 383.54 g/mol
• Exact Mass: 383.27
• IUPAC Name: (3S)-N-ethyl-2-methyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
• SMILES: CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)[C@@H]1CC2(CCNCC2)CN1C
• InChI: InChI=1S/C22H33N5O/c1-4-27(12-7-20-24-17-6-5-16(2)13-18(17)25-20)21(28)19-14-22(15-26(19)3)8-10-23-11-9-22/h5-6,13,19,23H,4,7-12,14-15H2,1-3H3,(H,24,25)/t19-/m0/s1
• InChIKey: OWWCEDUZNHZAPO-IBGZPJMESA-N
• XLogP: 2.34
• TPSA: 64.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.54
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-2-methyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?

The IUPAC name of (3S)-N-ethyl-2-methyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95872570) is (3S)-N-ethyl-2-methyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

What is the SMILES notation for (3S)-N-ethyl-2-methyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?

The canonical SMILES for (3S)-N-ethyl-2-methyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)[C@@H]1CC2(CCNCC2)CN1C.

What is the InChIKey of (3S)-N-ethyl-2-methyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?

The InChIKey is OWWCEDUZNHZAPO-IBGZPJMESA-N. The full InChI is InChI=1S/C22H33N5O/c1-4-27(12-7-20-24-17-6-5-16(2)13-18(17)25-20)21(28)19-14-22(15-26(19)3)8-10-23-11-9-22/h5-6,13,19,23H,4,7-12,14-15H2,1-3H3,(H,24,25)/t19-/m0/s1.

What are the key properties of (3S)-N-ethyl-2-methyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?

(3S)-N-ethyl-2-methyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-ethyl-2-methyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95872570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).