1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone

C21H25NO2 — CID 127120206

IUPAC1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H25NO2/c1-24-20-9-5-8-19(15-20)16-21(23)22-12-10-18(11-13-22)14-17-6-3-2-4-7-17/h2-9,15,18H,10-14,16H2,1H3
InChIKeyNVQMNOJVEJCPAD-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.72
Rot. Bonds5

About 1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone

1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone (PubChem CID 127120206) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
PubChem CID127120206
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H25NO2/c1-24-20-9-5-8-19(15-20)16-21(23)22-12-10-18(11-13-22)14-17-6-3-2-4-7-17/h2-9,15,18H,10-14,16H2,1H3
InChIKeyNVQMNOJVEJCPAD-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzylpiperidin-1-yl)-4-(3-methoxyphenyl)butane-1,4-dione
CID 110416061
3-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide
CID 108952153
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 106839428
1-[3-(bromomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 80667787
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one
CID 43905657
2-(3-methoxyphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119538365
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892
N'-hydroxy-1-[2-(3-methoxyphenyl)acetyl]piperidine-4-carboximidamide
CID 77039394
(4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 40640492
1-benzyl-3-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]imidazolidin-2-one
CID 50789384
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone (CID 127120206) is 1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)N2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone?
The InChIKey is NVQMNOJVEJCPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-24-20-9-5-8-19(15-20)16-21(23)22-12-10-18(11-13-22)14-17-6-3-2-4-7-17/h2-9,15,18H,10-14,16H2,1H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone?
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone has a molecular weight of 323.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 127120206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).