[1-[2-[(3-methylphenyl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone

C27H27NO3 — CID 24686333

IUPAC[1-[2-[(3-methylphenyl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone
SMILESCc1cccc(COc2ccccc2C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C27H27NO3/c1-20-8-7-9-21(18-20)19-31-25-13-6-5-12-24(25)27(30)28-16-14-23(15-17-28)26(29)22-10-3-2-4-11-22/h2-13,18,23H,14-17,19H2,1H3
InChIKeyCEOBQKBSSZCWQK-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.31
Rot. Bonds6

About [1-[2-[(3-methylphenyl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone

[1-[2-[(3-methylphenyl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone (PubChem CID 24686333) has the molecular formula C27H27NO3 and a molecular weight of 413.52 g/mol. Its IUPAC name is [1-[2-[(3-methylphenyl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[2-[(3-methylphenyl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone
PubChem CID24686333
Molecular FormulaC27H27NO3
Molecular Weight413.52 g/mol
Exact Mass413.20
IUPAC Name[1-[2-[(3-methylphenyl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone
SMILESCc1cccc(COc2ccccc2C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C27H27NO3/c1-20-8-7-9-21(18-20)19-31-25-13-6-5-12-24(25)27(30)28-16-14-23(15-17-28)26(29)22-10-3-2-4-11-22/h2-13,18,23H,14-17,19H2,1H3
InChIKeyCEOBQKBSSZCWQK-UHFFFAOYSA-N
XLogP5.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(3-methylphenyl)methoxy]phenyl]methanone
CID 43057730
1-[2-[(3-bromophenyl)methoxy]benzoyl]piperidine-4-carboxamide
CID 31302458
1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 51329229
[1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone
CID 24682976
methyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51153897
(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone
CID 25472791
3-[(3-methylphenyl)methoxy]phthalic acid
CID 66906397
[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 18143330
ethyl 4-[2-[(3-bromophenyl)methoxy]benzoyl]piperazine-1-carboxylate
CID 30687965
[3-[(2-methoxyphenoxy)methyl]phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325253
1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone
CID 34840464
(3S)-1-[2-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 124703449

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(3-methylphenyl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-[2-[(3-methylphenyl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone (CID 24686333) is [1-[2-[(3-methylphenyl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-[2-[(3-methylphenyl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-[2-[(3-methylphenyl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone is Cc1cccc(COc2ccccc2C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of [1-[2-[(3-methylphenyl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone?
The InChIKey is CEOBQKBSSZCWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO3/c1-20-8-7-9-21(18-20)19-31-25-13-6-5-12-24(25)27(30)28-16-14-23(15-17-28)26(29)22-10-3-2-4-11-22/h2-13,18,23H,14-17,19H2,1H3.
What are the key properties of [1-[2-[(3-methylphenyl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone?
[1-[2-[(3-methylphenyl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone has a molecular weight of 413.52 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(3-methylphenyl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 24686333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).