[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone

C21H25NO3 — CID 122195783

IUPAC[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(OCc2ccc(C(=O)N3CCCC(C)C3)cc2)cc1
InChIInChI=1S/C21H25NO3/c1-16-4-3-13-22(14-16)21(23)18-7-5-17(6-8-18)15-25-20-11-9-19(24-2)10-12-20/h5-12,16H,3-4,13-15H2,1-2H3
InChIKeySIGNVKVGXSUYQD-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.15
Rot. Bonds5

About [4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone

[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 122195783) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is [4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID122195783
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(OCc2ccc(C(=O)N3CCCC(C)C3)cc2)cc1
InChIInChI=1S/C21H25NO3/c1-16-4-3-13-22(14-16)21(23)18-7-5-17(6-8-18)15-25-20-11-9-19(24-2)10-12-20/h5-12,16H,3-4,13-15H2,1-2H3
InChIKeySIGNVKVGXSUYQD-UHFFFAOYSA-N
XLogP4.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 669383
[4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone
CID 87055955
[4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone
CID 122195788
[3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119490079
[4-(chloromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 43156245
[4-[(2,4-dichlorophenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 2942148
[4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone
CID 87056027
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 9107081
[4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 110884966
[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]methanone
CID 71260003
2-fluoro-6-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methoxy]benzamide
CID 23725878
4-methoxy-N-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-N-prop-2-enylbenzenesulfonamide
CID 125043094

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone (CID 122195783) is [4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone is COc1ccc(OCc2ccc(C(=O)N3CCCC(C)C3)cc2)cc1.
What is the InChIKey of [4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is SIGNVKVGXSUYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-16-4-3-13-22(14-16)21(23)18-7-5-17(6-8-18)15-25-20-11-9-19(24-2)10-12-20/h5-12,16H,3-4,13-15H2,1-2H3.
What are the key properties of [4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone?
[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 122195783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).