7-[(3-methylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C23H29N3O — CID 45205279

IUPAC7-[(3-methylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cccc(CN2CCCC3(CCN(Cc4cccc(C)n4)C3)C2=O)c1
InChIInChI=1S/C23H29N3O/c1-18-6-3-8-20(14-18)15-26-12-5-10-23(22(26)27)11-13-25(17-23)16-21-9-4-7-19(2)24-21/h3-4,6-9,14H,5,10-13,15-17H2,1-2H3
InChIKeyMXAQRPDUXDOYEA-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.71
Rot. Bonds4

About 7-[(3-methylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

7-[(3-methylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45205279) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 7-[(3-methylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-[(3-methylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45205279
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name7-[(3-methylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cccc(CN2CCCC3(CCN(Cc4cccc(C)n4)C3)C2=O)c1
InChIInChI=1S/C23H29N3O/c1-18-6-3-8-20(14-18)15-26-12-5-10-23(22(26)27)11-13-25(17-23)16-21-9-4-7-19(2)24-21/h3-4,6-9,14H,5,10-13,15-17H2,1-2H3
InChIKeyMXAQRPDUXDOYEA-UHFFFAOYSA-N
XLogP3.71
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[(3-methylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(3,4-difluorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45235909
(5R)-2-(1H-imidazol-2-ylmethyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 29002413
7-(2-methoxyethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45190498
7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45224935
(5S)-7-[(3-methylphenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42113986
(5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97373838
(5R)-2-[(3-methylphenyl)methyl]-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97385757
2-[(3-methylphenyl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131643293
3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one
CID 45251257
(5S)-9-(cyclopropylmethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 97372110
(5R)-2-[(3-methylphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373826
(5S)-7-[(3-methylphenyl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 42344770

Frequently Asked Questions

What is the IUPAC name of 7-[(3-methylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-[(3-methylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 45205279) is 7-[(3-methylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-[(3-methylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-[(3-methylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is Cc1cccc(CN2CCCC3(CCN(Cc4cccc(C)n4)C3)C2=O)c1.
What is the InChIKey of 7-[(3-methylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is MXAQRPDUXDOYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-18-6-3-8-20(14-18)15-26-12-5-10-23(22(26)27)11-13-25(17-23)16-21-9-4-7-19(2)24-21/h3-4,6-9,14H,5,10-13,15-17H2,1-2H3.
What are the key properties of 7-[(3-methylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
7-[(3-methylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 363.51 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45205279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).