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

C23H29N3O2 — CID 97155661

IUPAC[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxy-2-pyridinyl)methanone
SMILESCCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ncccc3O)CC2)C1
InChIInChI=1S/C23H29N3O2/c1-2-25-16-19(18-7-4-3-5-8-18)15-23(17-25)10-13-26(14-11-23)22(28)21-20(27)9-6-12-24-21/h3-9,12,19,27H,2,10-11,13-17H2,1H3/t19-/m0/s1
InChIKeyLRRXVPJDIWPBNQ-IBGZPJMESA-N
MW379.50 g/mol
LogP3.52
Rot. Bonds3

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

[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxy-2-pyridinyl)methanone (PubChem CID 97155661) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxy-2-pyridinyl)methanone
PubChem CID97155661
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxy-2-pyridinyl)methanone
SMILESCCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ncccc3O)CC2)C1
InChIInChI=1S/C23H29N3O2/c1-2-25-16-19(18-7-4-3-5-8-18)15-23(17-25)10-13-26(14-11-23)22(28)21-20(27)9-6-12-24-21/h3-9,12,19,27H,2,10-11,13-17H2,1H3/t19-/m0/s1
InChIKeyLRRXVPJDIWPBNQ-IBGZPJMESA-N
XLogP3.52
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone
CID 72864845
(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]-(6-methyl-3-pyridinyl)methanone
CID 97120580
(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
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxyphenyl)methanone
CID 97156118
(4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97149228
1-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone
CID 97118763
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
CID 97110511
[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 97445987
5-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one
CID 97113994
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]-(3-hydroxy-2-pyridinyl)methanone?
The IUPAC name of [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxy-2-pyridinyl)methanone (CID 97155661) is [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxy-2-pyridinyl)methanone.
What is the SMILES notation for [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxy-2-pyridinyl)methanone?
The canonical SMILES for [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxy-2-pyridinyl)methanone is CCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ncccc3O)CC2)C1.
What is the InChIKey of [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxy-2-pyridinyl)methanone?
The InChIKey is LRRXVPJDIWPBNQ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H29N3O2/c1-2-25-16-19(18-7-4-3-5-8-18)15-23(17-25)10-13-26(14-11-23)22(28)21-20(27)9-6-12-24-21/h3-9,12,19,27H,2,10-11,13-17H2,1H3/t19-/m0/s1.
What are the key properties of [(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxy-2-pyridinyl)methanone?
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxy-2-pyridinyl)methanone has a molecular weight of 379.50 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 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]-(3-hydroxy-2-pyridinyl)methanone is sourced from PubChem (CID 97155661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).