(4R)-2-cyclopropyl-4-phenyl-9-(1H-pyrrole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C23H27N3O2 — CID 97205163

IUPAC(4R)-2-cyclopropyl-4-phenyl-9-(1H-pyrrole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(c1cc[nH]c1)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2
InChIInChI=1S/C23H27N3O2/c27-21(18-8-11-24-15-18)25-12-9-23(10-13-25)14-20(17-4-2-1-3-5-17)22(28)26(16-23)19-6-7-19/h1-5,8,11,15,19-20,24H,6-7,9-10,12-14,16H2/t20-/m1/s1
InChIKeyJQBPBOUKADTGQJ-HXUWFJFHSA-N
MW377.49 g/mol
LogP3.42
Rot. Bonds3

About (4R)-2-cyclopropyl-4-phenyl-9-(1H-pyrrole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

(4R)-2-cyclopropyl-4-phenyl-9-(1H-pyrrole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97205163) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (4R)-2-cyclopropyl-4-phenyl-9-(1H-pyrrole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(4R)-2-cyclopropyl-4-phenyl-9-(1H-pyrrole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97205163
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(4R)-2-cyclopropyl-4-phenyl-9-(1H-pyrrole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(c1cc[nH]c1)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2
InChIInChI=1S/C23H27N3O2/c27-21(18-8-11-24-15-18)25-12-9-23(10-13-25)14-20(17-4-2-1-3-5-17)22(28)26(16-23)19-6-7-19/h1-5,8,11,15,19-20,24H,6-7,9-10,12-14,16H2/t20-/m1/s1
InChIKeyJQBPBOUKADTGQJ-HXUWFJFHSA-N
XLogP3.42
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-2-cyclopropyl-4-phenyl-9-(1H-pyrrole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one 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

(4R)-2-cyclopropyl-9-(4-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97452334
(4S)-2-cyclopropyl-4-phenyl-9-(pyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97194577
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
ethyl 2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 72893524
2-cyclopropyl-9-(3-methoxypropanoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72852359
(4S)-2-cyclopropyl-9-(2-ethoxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97207725
(4S)-2-cyclopropyl-4-phenyl-9-piperidin-4-yl-2,9-diazaspiro[5.5]undecan-3-one
CID 97122546
(4R)-2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97138426
(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-[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]-N-ethylacetamide
CID 97116302

Frequently Asked Questions

What is the IUPAC name of (4R)-2-cyclopropyl-4-phenyl-9-(1H-pyrrole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (4R)-2-cyclopropyl-4-phenyl-9-(1H-pyrrole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 97205163) is (4R)-2-cyclopropyl-4-phenyl-9-(1H-pyrrole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (4R)-2-cyclopropyl-4-phenyl-9-(1H-pyrrole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (4R)-2-cyclopropyl-4-phenyl-9-(1H-pyrrole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C(c1cc[nH]c1)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2.
What is the InChIKey of (4R)-2-cyclopropyl-4-phenyl-9-(1H-pyrrole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is JQBPBOUKADTGQJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-21(18-8-11-24-15-18)25-12-9-23(10-13-25)14-20(17-4-2-1-3-5-17)22(28)26(16-23)19-6-7-19/h1-5,8,11,15,19-20,24H,6-7,9-10,12-14,16H2/t20-/m1/s1.
What are the key properties of (4R)-2-cyclopropyl-4-phenyl-9-(1H-pyrrole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
(4R)-2-cyclopropyl-4-phenyl-9-(1H-pyrrole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 377.49 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-cyclopropyl-4-phenyl-9-(1H-pyrrole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97205163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).