(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone

C19H29N3O2 — CID 56744173

IUPAC(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCCN(C)C3(CCN(C)CC3)C2)ccc1O
InChIInChI=1S/C19H29N3O2/c1-15-13-16(5-6-17(15)23)18(24)22-10-4-9-21(3)19(14-22)7-11-20(2)12-8-19/h5-6,13,23H,4,7-12,14H2,1-3H3
InChIKeyLCMAQMGAQHKLMO-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.94
Rot. Bonds1

About (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone

(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone (PubChem CID 56744173) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone
PubChem CID56744173
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCCN(C)C3(CCN(C)CC3)C2)ccc1O
InChIInChI=1S/C19H29N3O2/c1-15-13-16(5-6-17(15)23)18(24)22-10-4-9-21(3)19(14-22)7-11-20(2)12-8-19/h5-6,13,23H,4,7-12,14H2,1-3H3
InChIKeyLCMAQMGAQHKLMO-UHFFFAOYSA-N
XLogP1.94
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470864
(2,2-dimethylmorpholin-4-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 113357496
1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one
CID 107676237
2,8-diazaspiro[4.5]decan-2-yl-(4-hydroxy-3-methylphenyl)methanone
CID 91764202
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
3-ethyl-1-(4-hydroxy-3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 107674875
(1,1-dioxo-1,4-thiazinan-4-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103955999
(3,4-dihydroxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 103956223
2-[4-(4-hydroxy-3-methylbenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 107674849
(4-fluoro-2-methylphenyl)-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone
CID 91829336
(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 56756865
2-(dimethylamino)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-methylphenyl)ethanone
CID 56758184

Frequently Asked Questions

What is the IUPAC name of (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone?
The IUPAC name of (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone (CID 56744173) is (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone.
What is the SMILES notation for (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone?
The canonical SMILES for (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone is Cc1cc(C(=O)N2CCCN(C)C3(CCN(C)CC3)C2)ccc1O.
What is the InChIKey of (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone?
The InChIKey is LCMAQMGAQHKLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-13-16(5-6-17(15)23)18(24)22-10-4-9-21(3)19(14-22)7-11-20(2)12-8-19/h5-6,13,23H,4,7-12,14H2,1-3H3.
What are the key properties of (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone?
(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone has a molecular weight of 331.46 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 56744173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).