8-[(3-methyl-2-pyridinyl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one

C27H29N3O — CID 57386520

IUPAC8-[(3-methyl-2-pyridinyl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cccnc1CN1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)C2=O
InChIInChI=1S/C27H29N3O/c1-21-6-5-16-28-25(21)20-29-17-13-27(14-18-29)15-19-30(26(27)31)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-12,16H,13-15,17-20H2,1H3
InChIKeyUHDZNHKPIFHYEP-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.08
Rot. Bonds4

About 8-[(3-methyl-2-pyridinyl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one

8-[(3-methyl-2-pyridinyl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 57386520) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is 8-[(3-methyl-2-pyridinyl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[(3-methyl-2-pyridinyl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID57386520
Molecular FormulaC27H29N3O
Molecular Weight411.55 g/mol
Exact Mass411.23
IUPAC Name8-[(3-methyl-2-pyridinyl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cccnc1CN1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)C2=O
InChIInChI=1S/C27H29N3O/c1-21-6-5-16-28-25(21)20-29-17-13-27(14-18-29)15-19-30(26(27)31)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-12,16H,13-15,17-20H2,1H3
InChIKeyUHDZNHKPIFHYEP-UHFFFAOYSA-N
XLogP5.08
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-methyl-2-pyridinyl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[(3-methyl-2-pyridinyl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one (CID 57386520) is 8-[(3-methyl-2-pyridinyl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[(3-methyl-2-pyridinyl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[(3-methyl-2-pyridinyl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one is Cc1cccnc1CN1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)C2=O.
What is the InChIKey of 8-[(3-methyl-2-pyridinyl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is UHDZNHKPIFHYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c1-21-6-5-16-28-25(21)20-29-17-13-27(14-18-29)15-19-30(26(27)31)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-12,16H,13-15,17-20H2,1H3.
What are the key properties of 8-[(3-methyl-2-pyridinyl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one?
8-[(3-methyl-2-pyridinyl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 411.55 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methyl-2-pyridinyl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 57386520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).