(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone

C23H29N3O — CID 72864845

IUPAC(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone
SMILESCCN1CC(c2ccccc2)CC2(CCN(C(=O)c3ccccn3)CC2)C1
InChIInChI=1S/C23H29N3O/c1-2-25-17-20(19-8-4-3-5-9-19)16-23(18-25)11-14-26(15-12-23)22(27)21-10-6-7-13-24-21/h3-10,13,20H,2,11-12,14-18H2,1H3
InChIKeyJQIAAHRSDPRNGN-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.81
Rot. Bonds3

About (2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone

(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone (PubChem CID 72864845) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is (2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone
PubChem CID72864845
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone
SMILESCCN1CC(c2ccccc2)CC2(CCN(C(=O)c3ccccn3)CC2)C1
InChIInChI=1S/C23H29N3O/c1-2-25-17-20(19-8-4-3-5-9-19)16-23(18-25)11-14-26(15-12-23)22(27)21-10-6-7-13-24-21/h3-10,13,20H,2,11-12,14-18H2,1H3
InChIKeyJQIAAHRSDPRNGN-UHFFFAOYSA-N
XLogP3.81
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(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)-(1H-pyrrol-2-yl)methanone
CID 72881187
(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-hydroxyphenyl)methanone
CID 72920228
[(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]-(6-methyl-3-pyridinyl)methanone
CID 97120580
(4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97149228
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxyphenyl)methanone
CID 97156118
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
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
[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 97445987

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone?
The IUPAC name of (2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone (CID 72864845) is (2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone is CCN1CC(c2ccccc2)CC2(CCN(C(=O)c3ccccn3)CC2)C1.
What is the InChIKey of (2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone?
The InChIKey is JQIAAHRSDPRNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-2-25-17-20(19-8-4-3-5-9-19)16-23(18-25)11-14-26(15-12-23)22(27)21-10-6-7-13-24-21/h3-10,13,20H,2,11-12,14-18H2,1H3.
What are the key properties of (2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone?
(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone has a molecular weight of 363.50 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 72864845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).