(4R)-2-cyclopropyl-4-phenyl-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one

C25H31N3O — CID 97135359

IUPAC(4R)-2-cyclopropyl-4-phenyl-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1[C@@H](c2ccccc2)CC2(CCN(CCc3ccccn3)CC2)CN1C1CC1
InChIInChI=1S/C25H31N3O/c29-24-23(20-6-2-1-3-7-20)18-25(19-28(24)22-9-10-22)12-16-27(17-13-25)15-11-21-8-4-5-14-26-21/h1-8,14,22-23H,9-13,15-19H2/t23-/m1/s1
InChIKeySBBYQWLDQZWCDC-HSZRJFAPSA-N
MW389.54 g/mol
LogP3.88
Rot. Bonds5

About (4R)-2-cyclopropyl-4-phenyl-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one

(4R)-2-cyclopropyl-4-phenyl-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97135359) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is (4R)-2-cyclopropyl-4-phenyl-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(4R)-2-cyclopropyl-4-phenyl-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97135359
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name(4R)-2-cyclopropyl-4-phenyl-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1[C@@H](c2ccccc2)CC2(CCN(CCc3ccccn3)CC2)CN1C1CC1
InChIInChI=1S/C25H31N3O/c29-24-23(20-6-2-1-3-7-20)18-25(19-28(24)22-9-10-22)12-16-27(17-13-25)15-11-21-8-4-5-14-26-21/h1-8,14,22-23H,9-13,15-19H2/t23-/m1/s1
InChIKeySBBYQWLDQZWCDC-HSZRJFAPSA-N
XLogP3.88
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-2-cyclopropyl-4-phenyl-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

2-cyclopropyl-4-phenyl-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72890965
2-cyclopropyl-9-(2-ethoxyethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72936317
2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72839202
(4S)-2-cyclopropyl-4-phenyl-9-(pyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97194577
2-cyclopropyl-9-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72876917
2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile
CID 97445413
(4R)-2-ethyl-4-phenyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97144161
(4R)-2-cyclopropyl-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97138977
2-cyclopropyl-9-(4-methylpyrimidin-2-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72918787
(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]-N-ethylacetamide
CID 97116302
(4S)-2-cyclopropyl-9-(2-methylsulfanylacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97190134

Frequently Asked Questions

What is the IUPAC name of (4R)-2-cyclopropyl-4-phenyl-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (4R)-2-cyclopropyl-4-phenyl-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 97135359) is (4R)-2-cyclopropyl-4-phenyl-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (4R)-2-cyclopropyl-4-phenyl-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (4R)-2-cyclopropyl-4-phenyl-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1[C@@H](c2ccccc2)CC2(CCN(CCc3ccccn3)CC2)CN1C1CC1.
What is the InChIKey of (4R)-2-cyclopropyl-4-phenyl-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is SBBYQWLDQZWCDC-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H31N3O/c29-24-23(20-6-2-1-3-7-20)18-25(19-28(24)22-9-10-22)12-16-27(17-13-25)15-11-21-8-4-5-14-26-21/h1-8,14,22-23H,9-13,15-19H2/t23-/m1/s1.
What are the key properties of (4R)-2-cyclopropyl-4-phenyl-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
(4R)-2-cyclopropyl-4-phenyl-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 389.54 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-cyclopropyl-4-phenyl-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97135359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).