(2-methoxy-4-propan-2-yloxyphenyl)-(4-methyl-4-phenylpiperidin-1-yl)methanone

C23H29NO3 — CID 138473872

IUPAC(2-methoxy-4-propan-2-yloxyphenyl)-(4-methyl-4-phenylpiperidin-1-yl)methanone
SMILESCOc1cc(OC(C)C)ccc1C(=O)N1CCC(C)(c2ccccc2)CC1
InChIInChI=1S/C23H29NO3/c1-17(2)27-19-10-11-20(21(16-19)26-4)22(25)24-14-12-23(3,13-15-24)18-8-6-5-7-9-18/h5-11,16-17H,12-15H2,1-4H3
InChIKeyBLNDWUYYUMRTKQ-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.68
Rot. Bonds5

About (2-methoxy-4-propan-2-yloxyphenyl)-(4-methyl-4-phenylpiperidin-1-yl)methanone

(2-methoxy-4-propan-2-yloxyphenyl)-(4-methyl-4-phenylpiperidin-1-yl)methanone (PubChem CID 138473872) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2-methoxy-4-propan-2-yloxyphenyl)-(4-methyl-4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-4-propan-2-yloxyphenyl)-(4-methyl-4-phenylpiperidin-1-yl)methanone
PubChem CID138473872
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(2-methoxy-4-propan-2-yloxyphenyl)-(4-methyl-4-phenylpiperidin-1-yl)methanone
SMILESCOc1cc(OC(C)C)ccc1C(=O)N1CCC(C)(c2ccccc2)CC1
InChIInChI=1S/C23H29NO3/c1-17(2)27-19-10-11-20(21(16-19)26-4)22(25)24-14-12-23(3,13-15-24)18-8-6-5-7-9-18/h5-11,16-17H,12-15H2,1-4H3
InChIKeyBLNDWUYYUMRTKQ-UHFFFAOYSA-N
XLogP4.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxy-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone
CID 138473871
2-methyl-3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropanoic acid
CID 122065781
(4-methyl-4-phenylpiperidin-1-yl)-(5-methyl-6-propan-2-yloxy-3-pyridinyl)methanone
CID 138473800
(2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 119300869
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 55548173
2-[2-(4-methyl-4-phenylpiperidine-1-carbonyl)phenyl]sulfanylpropanoic acid
CID 120549987
(4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 81103143
[8-(2,4-dimethoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-phenylmethanone
CID 4590316
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
1-(2,4-dimethoxybenzoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259319
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 120806079
1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176938

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-propan-2-yloxyphenyl)-(4-methyl-4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (2-methoxy-4-propan-2-yloxyphenyl)-(4-methyl-4-phenylpiperidin-1-yl)methanone (CID 138473872) is (2-methoxy-4-propan-2-yloxyphenyl)-(4-methyl-4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-methoxy-4-propan-2-yloxyphenyl)-(4-methyl-4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (2-methoxy-4-propan-2-yloxyphenyl)-(4-methyl-4-phenylpiperidin-1-yl)methanone is COc1cc(OC(C)C)ccc1C(=O)N1CCC(C)(c2ccccc2)CC1.
What is the InChIKey of (2-methoxy-4-propan-2-yloxyphenyl)-(4-methyl-4-phenylpiperidin-1-yl)methanone?
The InChIKey is BLNDWUYYUMRTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-17(2)27-19-10-11-20(21(16-19)26-4)22(25)24-14-12-23(3,13-15-24)18-8-6-5-7-9-18/h5-11,16-17H,12-15H2,1-4H3.
What are the key properties of (2-methoxy-4-propan-2-yloxyphenyl)-(4-methyl-4-phenylpiperidin-1-yl)methanone?
(2-methoxy-4-propan-2-yloxyphenyl)-(4-methyl-4-phenylpiperidin-1-yl)methanone has a molecular weight of 367.49 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-propan-2-yloxyphenyl)-(4-methyl-4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 138473872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).