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

C22H27NO3 — CID 138473871

IUPAC(2-methoxy-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone
SMILESCOc1cc(OC(C)C)ccc1C(=O)N1CCCC(c2ccccc2)C1
InChIInChI=1S/C22H27NO3/c1-16(2)26-19-11-12-20(21(14-19)25-3)22(24)23-13-7-10-18(15-23)17-8-5-4-6-9-17/h4-6,8-9,11-12,14,16,18H,7,10,13,15H2,1-3H3
InChIKeySHSKYZURYSSPAB-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.50
Rot. Bonds5

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

(2-methoxy-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone (PubChem CID 138473871) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is (2-methoxy-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone
PubChem CID138473871
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name(2-methoxy-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone
SMILESCOc1cc(OC(C)C)ccc1C(=O)N1CCCC(c2ccccc2)C1
InChIInChI=1S/C22H27NO3/c1-16(2)26-19-11-12-20(21(14-19)25-3)22(24)23-13-7-10-18(15-23)17-8-5-4-6-9-17/h4-6,8-9,11-12,14,16,18H,7,10,13,15H2,1-3H3
InChIKeySHSKYZURYSSPAB-UHFFFAOYSA-N
XLogP4.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone
CID 138473776
(2-methoxy-4-propan-2-yloxyphenyl)-(4-methyl-4-phenylpiperidin-1-yl)methanone
CID 138473872
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 17491736
(2,4-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403188
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 115969440
[(3S)-3-methoxypiperidin-1-yl]-(2-propan-2-yloxyphenyl)methanone
CID 95352949
[3-(4-methoxyphenyl)azepan-1-yl]-(2-methylphenyl)methanone
CID 121146942
(3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone
CID 121146218
N-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide
CID 51079114
(5-chloro-2-methoxyphenyl)-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146976
(2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110092290

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone?
The IUPAC name of (2-methoxy-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone (CID 138473871) is (2-methoxy-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-methoxy-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (2-methoxy-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone is COc1cc(OC(C)C)ccc1C(=O)N1CCCC(c2ccccc2)C1.
What is the InChIKey of (2-methoxy-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone?
The InChIKey is SHSKYZURYSSPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-16(2)26-19-11-12-20(21(14-19)25-3)22(24)23-13-7-10-18(15-23)17-8-5-4-6-9-17/h4-6,8-9,11-12,14,16,18H,7,10,13,15H2,1-3H3.
What are the key properties of (2-methoxy-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone?
(2-methoxy-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone has a molecular weight of 353.46 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 138473871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).