(3S)-N-[(2,3-difluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

C20H29F2N3O — CID 95895254

About (3S)-N-[(2,3-difluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

(3S)-N-[(2,3-difluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95895254) has the molecular formula C20H29F2N3O and a molecular weight of 365.47 g/mol. Its IUPAC name is (3S)-N-[(2,3-difluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-[(2,3-difluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• PubChem CID: 95895254
• Molecular Formula: C20H29F2N3O
• Molecular Weight: 365.47 g/mol
• Exact Mass: 365.23
• IUPAC Name: (3S)-N-[(2,3-difluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• SMILES: CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCc1cccc(F)c1F
• InChI: InChI=1S/C20H29F2N3O/c1-3-9-25-14-20(7-10-24(2)11-8-20)12-17(25)19(26)23-13-15-5-4-6-16(21)18(15)22/h4-6,17H,3,7-14H2,1-2H3,(H,23,26)/t17-/m0/s1
• InChIKey: BPFCDQIPBYLRKR-KRWDZBQOSA-N
• XLogP: 2.78
• TPSA: 35.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.47
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2,3-difluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?

The IUPAC name of (3S)-N-[(2,3-difluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95895254) is (3S)-N-[(2,3-difluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

What is the SMILES notation for (3S)-N-[(2,3-difluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?

The canonical SMILES for (3S)-N-[(2,3-difluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCc1cccc(F)c1F.

What is the InChIKey of (3S)-N-[(2,3-difluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?

The InChIKey is BPFCDQIPBYLRKR-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29F2N3O/c1-3-9-25-14-20(7-10-24(2)11-8-20)12-17(25)19(26)23-13-15-5-4-6-16(21)18(15)22/h4-6,17H,3,7-14H2,1-2H3,(H,23,26)/t17-/m0/s1.

What are the key properties of (3S)-N-[(2,3-difluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?

(3S)-N-[(2,3-difluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 365.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[(2,3-difluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95895254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).