2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one

C20H26N2O3 — CID 72878667

IUPAC2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(C(=O)c3ccc(O)cc3)CC2)CN1CC1CC1
InChIInChI=1S/C20H26N2O3/c23-17-5-3-16(4-6-17)19(25)21-11-9-20(10-12-21)8-7-18(24)22(14-20)13-15-1-2-15/h3-6,15,23H,1-2,7-14H2
InChIKeyUDTXVGOCQLTYSH-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.65
Rot. Bonds3

About 2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72878667) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72878667
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(C(=O)c3ccc(O)cc3)CC2)CN1CC1CC1
InChIInChI=1S/C20H26N2O3/c23-17-5-3-16(4-6-17)19(25)21-11-9-20(10-12-21)8-7-18(24)22(14-20)13-15-1-2-15/h3-6,15,23H,1-2,7-14H2
InChIKeyUDTXVGOCQLTYSH-UHFFFAOYSA-N
XLogP2.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-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

9-benzoyl-2-(cyclobutylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 131680583
2-(cyclopropylmethyl)-9-(4-prop-2-enylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72870679
2-(cyclopropylmethyl)-9-[2-(4-hydroxyphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72923432
2-cyclopentyl-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72853987
2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72894680
2-(cyclopropylmethyl)-9-(2-methoxy-6-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72854155
2-(cyclopropylmethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 124816533
2-(cyclopropylmethyl)-9-(2-phenylmethoxyacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72899248
2-(cyclopropylmethyl)-9-(4-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72859362
9-(3-hydroxy-4-methylbenzoyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97121278
2-(cyclobutylmethyl)-9-(6-methylpyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98897031
(6R)-8-(4-hydroxybenzoyl)-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96579498

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72878667) is 2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(C(=O)c3ccc(O)cc3)CC2)CN1CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is UDTXVGOCQLTYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-17-5-3-16(4-6-17)19(25)21-11-9-20(10-12-21)8-7-18(24)22(14-20)13-15-1-2-15/h3-6,15,23H,1-2,7-14H2.
What are the key properties of 2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 342.44 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72878667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).