(4S)-2-cyclopropyl-4-phenyl-9-(pyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C24H27N3O2 — CID 97194577

IUPAC(4S)-2-cyclopropyl-4-phenyl-9-(pyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(c1ccccn1)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2
InChIInChI=1S/C24H27N3O2/c28-22-20(18-6-2-1-3-7-18)16-24(17-27(22)19-9-10-19)11-14-26(15-12-24)23(29)21-8-4-5-13-25-21/h1-8,13,19-20H,9-12,14-17H2/t20-/m0/s1
InChIKeyHFHYHCMFQMAHPW-FQEVSTJZSA-N
MW389.50 g/mol
LogP3.48
Rot. Bonds3

About (4S)-2-cyclopropyl-4-phenyl-9-(pyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

(4S)-2-cyclopropyl-4-phenyl-9-(pyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97194577) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (4S)-2-cyclopropyl-4-phenyl-9-(pyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(4S)-2-cyclopropyl-4-phenyl-9-(pyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97194577
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(4S)-2-cyclopropyl-4-phenyl-9-(pyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(c1ccccn1)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2
InChIInChI=1S/C24H27N3O2/c28-22-20(18-6-2-1-3-7-18)16-24(17-27(22)19-9-10-19)11-14-26(15-12-24)23(29)21-8-4-5-13-25-21/h1-8,13,19-20H,9-12,14-17H2/t20-/m0/s1
InChIKeyHFHYHCMFQMAHPW-FQEVSTJZSA-N
XLogP3.48
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-cyclopropyl-4-phenyl-9-(1H-pyrrole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97205163
(4R)-2-cyclopropyl-9-(4-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97452334
9-(cyclobutanecarbonyl)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72935461
(4S)-2-cyclopropyl-9-(2-methylsulfanylacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97190134
2-cyclopropyl-4-phenyl-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72890965
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
(4S)-2-cyclopropyl-9-(2-ethoxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97207725
2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile
CID 97445413
2-cyclopropyl-9-(3-methoxypropanoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72852359
(4S)-2-cyclopropyl-4-phenyl-9-[2-(1,2,4-triazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97434858
2-cyclopropyl-9-(4-methylpyrimidin-2-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72918787

Frequently Asked Questions

What is the IUPAC name of (4S)-2-cyclopropyl-4-phenyl-9-(pyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (4S)-2-cyclopropyl-4-phenyl-9-(pyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 97194577) is (4S)-2-cyclopropyl-4-phenyl-9-(pyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (4S)-2-cyclopropyl-4-phenyl-9-(pyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (4S)-2-cyclopropyl-4-phenyl-9-(pyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C(c1ccccn1)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2.
What is the InChIKey of (4S)-2-cyclopropyl-4-phenyl-9-(pyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is HFHYHCMFQMAHPW-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27N3O2/c28-22-20(18-6-2-1-3-7-18)16-24(17-27(22)19-9-10-19)11-14-26(15-12-24)23(29)21-8-4-5-13-25-21/h1-8,13,19-20H,9-12,14-17H2/t20-/m0/s1.
What are the key properties of (4S)-2-cyclopropyl-4-phenyl-9-(pyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
(4S)-2-cyclopropyl-4-phenyl-9-(pyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 389.50 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-cyclopropyl-4-phenyl-9-(pyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97194577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).