2-cyclopropyl-9-(4-methylpyrimidin-2-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

C23H28N4O — CID 72918787

IUPAC2-cyclopropyl-9-(4-methylpyrimidin-2-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ccnc(N2CCC3(CC2)CC(c2ccccc2)C(=O)N(C2CC2)C3)n1
InChIInChI=1S/C23H28N4O/c1-17-9-12-24-22(25-17)26-13-10-23(11-14-26)15-20(18-5-3-2-4-6-18)21(28)27(16-23)19-7-8-19/h2-6,9,12,19-20H,7-8,10-11,13-16H2,1H3
InChIKeyZSSZBUWVRUSDEE-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.55
Rot. Bonds3

About 2-cyclopropyl-9-(4-methylpyrimidin-2-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-9-(4-methylpyrimidin-2-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72918787) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-cyclopropyl-9-(4-methylpyrimidin-2-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-9-(4-methylpyrimidin-2-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72918787
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name2-cyclopropyl-9-(4-methylpyrimidin-2-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ccnc(N2CCC3(CC2)CC(c2ccccc2)C(=O)N(C2CC2)C3)n1
InChIInChI=1S/C23H28N4O/c1-17-9-12-24-22(25-17)26-13-10-23(11-14-26)15-20(18-5-3-2-4-6-18)21(28)27(16-23)19-7-8-19/h2-6,9,12,19-20H,7-8,10-11,13-16H2,1H3
InChIKeyZSSZBUWVRUSDEE-UHFFFAOYSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-9-(6-methylpyrimidin-4-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72850468
2-cyclopropyl-4-phenyl-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72890965
(4R)-2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97138426
2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile
CID 97445413
(4S)-2-cyclopropyl-9-(2-methylsulfanylacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97190134
(4S)-2-cyclopropyl-4-phenyl-9-(pyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97194577
ethyl 2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 72893524
(4R)-2-cyclopropyl-4-phenyl-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97135359
(4R)-2-cyclopropyl-9-(4-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97452334
2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72839202
6-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile
CID 97456290
6-[(4S)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile
CID 97456289

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-9-(4-methylpyrimidin-2-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-9-(4-methylpyrimidin-2-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (CID 72918787) is 2-cyclopropyl-9-(4-methylpyrimidin-2-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-9-(4-methylpyrimidin-2-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-9-(4-methylpyrimidin-2-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is Cc1ccnc(N2CCC3(CC2)CC(c2ccccc2)C(=O)N(C2CC2)C3)n1.
What is the InChIKey of 2-cyclopropyl-9-(4-methylpyrimidin-2-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZSSZBUWVRUSDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-17-9-12-24-22(25-17)26-13-10-23(11-14-26)15-20(18-5-3-2-4-6-18)21(28)27(16-23)19-7-8-19/h2-6,9,12,19-20H,7-8,10-11,13-16H2,1H3.
What are the key properties of 2-cyclopropyl-9-(4-methylpyrimidin-2-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-9-(4-methylpyrimidin-2-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 376.50 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-9-(4-methylpyrimidin-2-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72918787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).