(4-chloro-2-hydroxyphenyl)-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone

C17H24ClN3O2 — CID 77089574

IUPAC(4-chloro-2-hydroxyphenyl)-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone
SMILESCN1CCCN(C(=O)c2ccc(Cl)cc2O)CC12CCNCC2
InChIInChI=1S/C17H24ClN3O2/c1-20-9-2-10-21(12-17(20)5-7-19-8-6-17)16(23)14-4-3-13(18)11-15(14)22/h3-4,11,19,22H,2,5-10,12H2,1H3
InChIKeyJSMQTNQVCRWCFT-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.95
Rot. Bonds1

About (4-chloro-2-hydroxyphenyl)-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone

(4-chloro-2-hydroxyphenyl)-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone (PubChem CID 77089574) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is (4-chloro-2-hydroxyphenyl)-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-hydroxyphenyl)-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone
PubChem CID77089574
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name(4-chloro-2-hydroxyphenyl)-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone
SMILESCN1CCCN(C(=O)c2ccc(Cl)cc2O)CC12CCNCC2
InChIInChI=1S/C17H24ClN3O2/c1-20-9-2-10-21(12-17(20)5-7-19-8-6-17)16(23)14-4-3-13(18)11-15(14)22/h3-4,11,19,22H,2,5-10,12H2,1H3
InChIKeyJSMQTNQVCRWCFT-UHFFFAOYSA-N
XLogP1.95
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluoro-2-methylphenyl)-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone
CID 91829336
(4-chloro-2-hydroxyphenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65282816
(4-chloro-2-hydroxyphenyl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 90648268
(5-chloro-2-hydroxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
CID 56740177
(4-chloro-2-hydroxyphenyl)-[4-(dimethylamino)azepan-1-yl]methanone
CID 56890134
(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 56744173
1-(4-chloro-2-hydroxybenzoyl)piperidin-4-one
CID 24706727
(4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 15942376
(4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61227227
2,8-diazaspiro[5.5]undecan-2-yl-(2-hydroxy-4-methylphenyl)methanone
CID 102849920
(6S)-8-(4-chloro-2-hydroxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97113251
2-[(2-fluorophenyl)methyl-methylamino]-1-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone
CID 91831609

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-hydroxyphenyl)-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone?
The IUPAC name of (4-chloro-2-hydroxyphenyl)-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone (CID 77089574) is (4-chloro-2-hydroxyphenyl)-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone.
What is the SMILES notation for (4-chloro-2-hydroxyphenyl)-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone?
The canonical SMILES for (4-chloro-2-hydroxyphenyl)-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone is CN1CCCN(C(=O)c2ccc(Cl)cc2O)CC12CCNCC2.
What is the InChIKey of (4-chloro-2-hydroxyphenyl)-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone?
The InChIKey is JSMQTNQVCRWCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-20-9-2-10-21(12-17(20)5-7-19-8-6-17)16(23)14-4-3-13(18)11-15(14)22/h3-4,11,19,22H,2,5-10,12H2,1H3.
What are the key properties of (4-chloro-2-hydroxyphenyl)-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone?
(4-chloro-2-hydroxyphenyl)-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone has a molecular weight of 337.85 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-hydroxyphenyl)-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone is sourced from PubChem (CID 77089574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).