[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(6-methyl-3-pyridinyl)methanone

C24H31N3O — CID 97120580

IUPAC[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(C)nc3)CC2)C1
InChIInChI=1S/C24H31N3O/c1-3-26-17-22(20-7-5-4-6-8-20)15-24(18-26)11-13-27(14-12-24)23(28)21-10-9-19(2)25-16-21/h4-10,16,22H,3,11-15,17-18H2,1-2H3/t22-/m0/s1
InChIKeyVSYXTJAPQVGEDB-QFIPXVFZSA-N
MW377.53 g/mol
LogP4.12
Rot. Bonds3

About [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(6-methyl-3-pyridinyl)methanone

[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 97120580) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID97120580
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(C)nc3)CC2)C1
InChIInChI=1S/C24H31N3O/c1-3-26-17-22(20-7-5-4-6-8-20)15-24(18-26)11-13-27(14-12-24)23(28)21-10-9-19(2)25-16-21/h4-10,16,22H,3,11-15,17-18H2,1-2H3/t22-/m0/s1
InChIKeyVSYXTJAPQVGEDB-QFIPXVFZSA-N
XLogP4.12
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(6-methyl-3-pyridinyl)methanone with MolForge

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Related Compounds

(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-hydroxyphenyl)methanone
CID 72920228
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 97155661
(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone
CID 72864845
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxyphenyl)methanone
CID 97156118
(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1H-pyrrol-2-yl)methanone
CID 72881187
[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(1H-pyrrol-2-yl)methanone
CID 97128654
(4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97149228
5-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one
CID 97113994
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
CID 97110511
1-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone
CID 97118763
[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 97445987
5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-oxopentanamide
CID 72896512

Frequently Asked Questions

What is the IUPAC name of [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(6-methyl-3-pyridinyl)methanone (CID 97120580) is [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(6-methyl-3-pyridinyl)methanone is CCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(C)nc3)CC2)C1.
What is the InChIKey of [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is VSYXTJAPQVGEDB-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H31N3O/c1-3-26-17-22(20-7-5-4-6-8-20)15-24(18-26)11-13-27(14-12-24)23(28)21-10-9-19(2)25-16-21/h4-10,16,22H,3,11-15,17-18H2,1-2H3/t22-/m0/s1.
What are the key properties of [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(6-methyl-3-pyridinyl)methanone?
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 377.53 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 97120580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).