(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone

C15H21NO2 — CID 95970544

IUPAC(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC[C@H](C)C2)cc1C
InChIInChI=1S/C15H21NO2/c1-11-5-4-8-16(10-11)15(17)13-6-7-14(18-3)12(2)9-13/h6-7,9,11H,4-5,8,10H2,1-3H3/t11-/m0/s1
InChIKeyQRORLRKUAWILCC-NSHDSACASA-N
MW247.34 g/mol
LogP2.88
Rot. Bonds2

About (4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone

(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone (PubChem CID 95970544) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
PubChem CID95970544
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC[C@H](C)C2)cc1C
InChIInChI=1S/C15H21NO2/c1-11-5-4-8-16(10-11)15(17)13-6-7-14(18-3)12(2)9-13/h6-7,9,11H,4-5,8,10H2,1-3H3/t11-/m0/s1
InChIKeyQRORLRKUAWILCC-NSHDSACASA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
[(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 129462233
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 82480569
(4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 63212098
[(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 93033672
(3-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 63393366
1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone
CID 110761022
(3-bromo-4-methoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61226218
[4-(1,3-dithiane-2-carbonyl)piperazin-1-yl]-[1-(4-methoxy-3-methylbenzoyl)piperidin-3-yl]methanone
CID 155965535
cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone
CID 110801028
(2-methoxy-4,6-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 110764973

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of (4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone (CID 95970544) is (4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for (4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC[C@H](C)C2)cc1C.
What is the InChIKey of (4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The InChIKey is QRORLRKUAWILCC-NSHDSACASA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-5-4-8-16(10-11)15(17)13-6-7-14(18-3)12(2)9-13/h6-7,9,11H,4-5,8,10H2,1-3H3/t11-/m0/s1.
What are the key properties of (4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone?
(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone has a molecular weight of 247.34 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 95970544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).