(2-methoxy-6-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone

C18H27NO3 — CID 97117578

IUPAC(2-methoxy-6-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCC[C@@H]1CCCN(C(=O)c2c(C)cccc2OC)C1
InChIInChI=1S/C18H27NO3/c1-14-7-4-10-16(22-3)17(14)18(20)19-11-5-8-15(13-19)9-6-12-21-2/h4,7,10,15H,5-6,8-9,11-13H2,1-3H3/t15-/m0/s1
InChIKeyFDDOAIHEQIOONF-HNNXBMFYSA-N
MW305.42 g/mol
LogP3.28
Rot. Bonds6

About (2-methoxy-6-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone

(2-methoxy-6-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone (PubChem CID 97117578) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2-methoxy-6-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-6-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
PubChem CID97117578
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(2-methoxy-6-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCC[C@@H]1CCCN(C(=O)c2c(C)cccc2OC)C1
InChIInChI=1S/C18H27NO3/c1-14-7-4-10-16(22-3)17(14)18(20)19-11-5-8-15(13-19)9-6-12-21-2/h4,7,10,15H,5-6,8-9,11-13H2,1-3H3/t15-/m0/s1
InChIKeyFDDOAIHEQIOONF-HNNXBMFYSA-N
XLogP3.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2,6-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103855483
(5-fluoro-2-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96572024
(2-fluoro-3-methylphenyl)-[(3R)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 124752994
(2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585622
[2-(4-fluorophenyl)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70713781
[3-(7-aminoheptyl)pyrrolidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 168813920
[3-(2-aminoethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 120727463
(2,6-dimethoxyphenyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110638674
(2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
CID 56875364
(2-ethylpyrazol-3-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97134062
[4-(difluoromethoxy)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70775695
(2-chloro-6-methoxyphenyl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124688075

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-6-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methoxy-6-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone (CID 97117578) is (2-methoxy-6-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxy-6-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxy-6-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone is COCCC[C@@H]1CCCN(C(=O)c2c(C)cccc2OC)C1.
What is the InChIKey of (2-methoxy-6-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone?
The InChIKey is FDDOAIHEQIOONF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-14-7-4-10-16(22-3)17(14)18(20)19-11-5-8-15(13-19)9-6-12-21-2/h4,7,10,15H,5-6,8-9,11-13H2,1-3H3/t15-/m0/s1.
What are the key properties of (2-methoxy-6-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone?
(2-methoxy-6-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone has a molecular weight of 305.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-6-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97117578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).