(3-methyl-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone

C22H27NO2 — CID 138473776

IUPAC(3-methyl-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(c3ccccc3)C2)ccc1OC(C)C
InChIInChI=1S/C22H27NO2/c1-16(2)25-21-12-11-19(14-17(21)3)22(24)23-13-7-10-20(15-23)18-8-5-4-6-9-18/h4-6,8-9,11-12,14,16,20H,7,10,13,15H2,1-3H3
InChIKeyZPZLOOXGDUDEHI-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.80
Rot. Bonds4

About (3-methyl-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone

(3-methyl-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone (PubChem CID 138473776) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is (3-methyl-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone
PubChem CID138473776
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name(3-methyl-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(c3ccccc3)C2)ccc1OC(C)C
InChIInChI=1S/C22H27NO2/c1-16(2)25-21-12-11-19(14-17(21)3)22(24)23-13-7-10-20(15-23)18-8-5-4-6-9-18/h4-6,8-9,11-12,14,16,20H,7,10,13,15H2,1-3H3
InChIKeyZPZLOOXGDUDEHI-UHFFFAOYSA-N
XLogP4.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-(3-phenylpiperidin-1-yl)methanone
CID 138473835
1-[4-(3-methyl-4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805532
(2-methoxy-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone
CID 138473871
(3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone
CID 121146218
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
(3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 155682211
(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95970544
[3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 125171560
ethyl 1-(3-methyl-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate
CID 110762331
2,2-dimethyl-1-[4-(3-methyl-4-propan-2-yloxybenzoyl)piperazin-1-yl]propan-1-one
CID 110801450
[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 126741052
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 42932428

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone?
The IUPAC name of (3-methyl-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone (CID 138473776) is (3-methyl-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-methyl-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (3-methyl-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone is Cc1cc(C(=O)N2CCCC(c3ccccc3)C2)ccc1OC(C)C.
What is the InChIKey of (3-methyl-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone?
The InChIKey is ZPZLOOXGDUDEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-16(2)25-21-12-11-19(14-17(21)3)22(24)23-13-7-10-20(15-23)18-8-5-4-6-9-18/h4-6,8-9,11-12,14,16,20H,7,10,13,15H2,1-3H3.
What are the key properties of (3-methyl-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone?
(3-methyl-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone has a molecular weight of 337.46 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 138473776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).