(5-chloro-2-hydroxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone

C17H24ClN3O2 — CID 56740177

IUPAC(5-chloro-2-hydroxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
SMILESCN1CCN(C)C2(CCN(C(=O)c3cc(Cl)ccc3O)CC2)C1
InChIInChI=1S/C17H24ClN3O2/c1-19-9-10-20(2)17(12-19)5-7-21(8-6-17)16(23)14-11-13(18)3-4-15(14)22/h3-4,11,22H,5-10,12H2,1-2H3
InChIKeyCOHRYWNPOGPQCQ-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.90
Rot. Bonds1

About (5-chloro-2-hydroxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone

(5-chloro-2-hydroxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 56740177) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is (5-chloro-2-hydroxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-hydroxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
PubChem CID56740177
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name(5-chloro-2-hydroxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
SMILESCN1CCN(C)C2(CCN(C(=O)c3cc(Cl)ccc3O)CC2)C1
InChIInChI=1S/C17H24ClN3O2/c1-19-9-10-20(2)17(12-19)5-7-21(8-6-17)16(23)14-11-13(18)3-4-15(14)22/h3-4,11,22H,5-10,12H2,1-2H3
InChIKeyCOHRYWNPOGPQCQ-UHFFFAOYSA-N
XLogP1.90
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-chloro-2-hydroxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone 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

(5-chloro-2-methoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
CID 56751265
(5-chloro-2-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404871
(5-chloro-2-hydroxyphenyl)-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
CID 107300679
(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 18108514
(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 77090878
(5-chloro-2-hydroxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47122991
(4-chloro-1H-indol-2-yl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
CID 56740995
(4-chloro-2-hydroxyphenyl)-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone
CID 77089574
1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid
CID 24691005
(4-chloro-2-hydroxyphenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65282816
(2-butoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
CID 56747964
2-(4-chloroanilino)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)butan-1-one
CID 56751131

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydroxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (5-chloro-2-hydroxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone (CID 56740177) is (5-chloro-2-hydroxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (5-chloro-2-hydroxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (5-chloro-2-hydroxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone is CN1CCN(C)C2(CCN(C(=O)c3cc(Cl)ccc3O)CC2)C1.
What is the InChIKey of (5-chloro-2-hydroxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is COHRYWNPOGPQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-19-9-10-20(2)17(12-19)5-7-21(8-6-17)16(23)14-11-13(18)3-4-15(14)22/h3-4,11,22H,5-10,12H2,1-2H3.
What are the key properties of (5-chloro-2-hydroxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone?
(5-chloro-2-hydroxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 337.85 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydroxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 56740177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).