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

C22H27NO3 — CID 2942250

IUPAC[4-[(4-ethoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCCOc1ccc(OCc2ccc(C(=O)N3CCCC(C)C3)cc2)cc1
InChIInChI=1S/C22H27NO3/c1-3-25-20-10-12-21(13-11-20)26-16-18-6-8-19(9-7-18)22(24)23-14-4-5-17(2)15-23/h6-13,17H,3-5,14-16H2,1-2H3
InChIKeyWFMWFIJMQIVRKV-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.54
Rot. Bonds6

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

[4-[(4-ethoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 2942250) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is [4-[(4-ethoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(4-ethoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID2942250
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name[4-[(4-ethoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCCOc1ccc(OCc2ccc(C(=O)N3CCCC(C)C3)cc2)cc1
InChIInChI=1S/C22H27NO3/c1-3-25-20-10-12-21(13-11-20)26-16-18-6-8-19(9-7-18)22(24)23-14-4-5-17(2)15-23/h6-13,17H,3-5,14-16H2,1-2H3
InChIKeyWFMWFIJMQIVRKV-UHFFFAOYSA-N
XLogP4.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-({4-[2-(4-methoxyphenyl)ethynyl]phenyl}carbonyl)piperidin-3-yl]methanol
CID 56587994
Snc 80
CID 123924
1-((3-Benzyl-3-methyl-2,3-dihydro-1-benzofuran-6-yl)carbonyl)piperidine
CID 24766011
1-Benzyl-4-(4-ethoxybenzoyl)piperazine
CID 673609
N-((4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)benzamide
CID 746156
GT-0198
CID 71584823
A-349821 free base
CID 9954017
{3-[4-(2-Isopropoxy-phenyl)-piperidin-1-ylmethyl]-phenyl}-piperidin-1-yl-methanone
CID 10409903
N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
(4-(3-(Dimethylamino)-1-phenoxypropyl)phenyl)(4-isopropylpiperazin-1-yl)methanone
CID 24948319
(R)-N,N-diethyl-4-(spiro[chroman-2,4''-piperidine]-4-yl)benzamide
CID 44254057
[4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone
CID 44275807

Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[(4-ethoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone (CID 2942250) is [4-[(4-ethoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[(4-ethoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[(4-ethoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone is CCOc1ccc(OCc2ccc(C(=O)N3CCCC(C)C3)cc2)cc1.
What is the InChIKey of [4-[(4-ethoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is WFMWFIJMQIVRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-3-25-20-10-12-21(13-11-20)26-16-18-6-8-19(9-7-18)22(24)23-14-4-5-17(2)15-23/h6-13,17H,3-5,14-16H2,1-2H3.
What are the key properties of [4-[(4-ethoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone?
[4-[(4-ethoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 353.46 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 2942250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).