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

C21H28N2O3 — CID 72923432

IUPAC2-(cyclopropylmethyl)-9-[2-(4-hydroxyphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(Cc1ccc(O)cc1)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1
InChIInChI=1S/C21H28N2O3/c24-18-5-3-16(4-6-18)13-20(26)22-11-9-21(10-12-22)8-7-19(25)23(15-21)14-17-1-2-17/h3-6,17,24H,1-2,7-15H2
InChIKeyZOMBBJTYSOJCJH-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.58
Rot. Bonds4

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

2-(cyclopropylmethyl)-9-[2-(4-hydroxyphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72923432) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-[2-(4-hydroxyphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-9-[2-(4-hydroxyphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72923432
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-(cyclopropylmethyl)-9-[2-(4-hydroxyphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(Cc1ccc(O)cc1)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1
InChIInChI=1S/C21H28N2O3/c24-18-5-3-16(4-6-18)13-20(26)22-11-9-21(10-12-22)8-7-19(25)23(15-21)14-17-1-2-17/h3-6,17,24H,1-2,7-15H2
InChIKeyZOMBBJTYSOJCJH-UHFFFAOYSA-N
XLogP2.58
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72878667
2-(cyclopropylmethyl)-9-(2-phenylmethoxyacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72899248
(6R)-2-(cyclopropylmethyl)-8-[2-[4-(dimethylamino)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97156784
9-[2-[4-(hydroxymethyl)phenyl]acetyl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97128034
9-[2-(4-methylphenyl)acetyl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97113040
2-(cyclopropylmethyl)-9-(4-prop-2-enylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72870679
2-(cyclopropylmethyl)-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70777892
9-benzoyl-2-(cyclobutylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 131680583
2-(cyclopropylmethyl)-9-(2-methoxy-6-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72854155
9-[2-(4-fluoro-3-methylphenyl)acetyl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72909705
2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72894680
2-(3-methoxypropyl)-9-[2-(4-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72904809

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-9-[2-(4-hydroxyphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-9-[2-(4-hydroxyphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72923432) is 2-(cyclopropylmethyl)-9-[2-(4-hydroxyphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-9-[2-(4-hydroxyphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-9-[2-(4-hydroxyphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one is O=C(Cc1ccc(O)cc1)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-9-[2-(4-hydroxyphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZOMBBJTYSOJCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-18-5-3-16(4-6-18)13-20(26)22-11-9-21(10-12-22)8-7-19(25)23(15-21)14-17-1-2-17/h3-6,17,24H,1-2,7-15H2.
What are the key properties of 2-(cyclopropylmethyl)-9-[2-(4-hydroxyphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-9-[2-(4-hydroxyphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 356.47 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-9-[2-(4-hydroxyphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72923432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).