8-[3-[(4-chlorophenyl)methyl]azetidine-3-carbonyl]-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C19H23ClN4O2 — CID 166619692

IUPAC8-[3-[(4-chlorophenyl)methyl]azetidine-3-carbonyl]-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC2(CCN(C(=O)C3(Cc4ccc(Cl)cc4)CNC3)CC2)C(=O)N1
InChIInChI=1S/C19H23ClN4O2/c1-13-22-16(25)19(23-13)6-8-24(9-7-19)17(26)18(11-21-12-18)10-14-2-4-15(20)5-3-14/h2-5,21H,6-12H2,1H3,(H,22,23,25)
InChIKeyKRNWPVIJZQVXSQ-UHFFFAOYSA-N
MW374.87 g/mol
LogP1.38
Rot. Bonds3

About 8-[3-[(4-chlorophenyl)methyl]azetidine-3-carbonyl]-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

8-[3-[(4-chlorophenyl)methyl]azetidine-3-carbonyl]-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 166619692) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 8-[3-[(4-chlorophenyl)methyl]azetidine-3-carbonyl]-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name8-[3-[(4-chlorophenyl)methyl]azetidine-3-carbonyl]-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID166619692
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name8-[3-[(4-chlorophenyl)methyl]azetidine-3-carbonyl]-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC2(CCN(C(=O)C3(Cc4ccc(Cl)cc4)CNC3)CC2)C(=O)N1
InChIInChI=1S/C19H23ClN4O2/c1-13-22-16(25)19(23-13)6-8-24(9-7-19)17(26)18(11-21-12-18)10-14-2-4-15(20)5-3-14/h2-5,21H,6-12H2,1H3,(H,22,23,25)
InChIKeyKRNWPVIJZQVXSQ-UHFFFAOYSA-N
XLogP1.38
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[3-[(4-chlorophenyl)methyl]azetidine-3-carbonyl]-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 8-[3-[(4-chlorophenyl)methyl]azetidine-3-carbonyl]-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 166619692) is 8-[3-[(4-chlorophenyl)methyl]azetidine-3-carbonyl]-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 8-[3-[(4-chlorophenyl)methyl]azetidine-3-carbonyl]-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 8-[3-[(4-chlorophenyl)methyl]azetidine-3-carbonyl]-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CC1=NC2(CCN(C(=O)C3(Cc4ccc(Cl)cc4)CNC3)CC2)C(=O)N1.
What is the InChIKey of 8-[3-[(4-chlorophenyl)methyl]azetidine-3-carbonyl]-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is KRNWPVIJZQVXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-13-22-16(25)19(23-13)6-8-24(9-7-19)17(26)18(11-21-12-18)10-14-2-4-15(20)5-3-14/h2-5,21H,6-12H2,1H3,(H,22,23,25).
What are the key properties of 8-[3-[(4-chlorophenyl)methyl]azetidine-3-carbonyl]-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
8-[3-[(4-chlorophenyl)methyl]azetidine-3-carbonyl]-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 374.87 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[(4-chlorophenyl)methyl]azetidine-3-carbonyl]-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 166619692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).