(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone

C27H27NO4 — CID 25472791

IUPAC(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3cccc(OCc4ccccc4)c3)CC2)cc1
InChIInChI=1S/C27H27NO4/c1-31-24-12-10-21(11-13-24)26(29)22-14-16-28(17-15-22)27(30)23-8-5-9-25(18-23)32-19-20-6-3-2-4-7-20/h2-13,18,22H,14-17,19H2,1H3
InChIKeyJSFYOIXMJRGKGD-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.01
Rot. Bonds7

About (4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone

(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone (PubChem CID 25472791) has the molecular formula C27H27NO4 and a molecular weight of 429.52 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone
PubChem CID25472791
Molecular FormulaC27H27NO4
Molecular Weight429.52 g/mol
Exact Mass429.19
IUPAC Name(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3cccc(OCc4ccccc4)c3)CC2)cc1
InChIInChI=1S/C27H27NO4/c1-31-24-12-10-21(11-13-24)26(29)22-14-16-28(17-15-22)27(30)23-8-5-9-25(18-23)32-19-20-6-3-2-4-7-20/h2-13,18,22H,14-17,19H2,1H3
InChIKeyJSFYOIXMJRGKGD-UHFFFAOYSA-N
XLogP5.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-[1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone
CID 25475563
(4-methoxyphenyl)-[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]methanone
CID 25475118
(4-methoxyphenyl)-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 46666074
[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 119276704
N-[3-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]acetamide
CID 25474514
1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
CID 119349727
[1-(1-benzylpyrazole-4-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25475301
[4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone
CID 87056027
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide
CID 112804050
cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534
phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394064
1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 8004468

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone (CID 25472791) is (4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone is COc1ccc(C(=O)C2CCN(C(=O)c3cccc(OCc4ccccc4)c3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone?
The InChIKey is JSFYOIXMJRGKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO4/c1-31-24-12-10-21(11-13-24)26(29)22-14-16-28(17-15-22)27(30)23-8-5-9-25(18-23)32-19-20-6-3-2-4-7-20/h2-13,18,22H,14-17,19H2,1H3.
What are the key properties of (4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone?
(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone has a molecular weight of 429.52 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 25472791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).