2-[(2R)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-2-yl]-1-(4-methoxyphenyl)ethanone

C24H29NO5 — CID 70676957

IUPAC2-[(2R)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-2-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)C[C@H]2CCCCN2C(=O)Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C24H29NO5/c1-28-20-10-8-18(9-11-20)21(26)16-19-6-4-5-13-25(19)24(27)15-17-7-12-22(29-2)23(14-17)30-3/h7-12,14,19H,4-6,13,15-16H2,1-3H3/t19-/m1/s1
InChIKeyUQHIGFAQQONOBI-LJQANCHMSA-N
MW411.50 g/mol
LogP3.91
Rot. Bonds8

About 2-[(2R)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-2-yl]-1-(4-methoxyphenyl)ethanone

2-[(2R)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-2-yl]-1-(4-methoxyphenyl)ethanone (PubChem CID 70676957) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is 2-[(2R)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-2-yl]-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[(2R)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-2-yl]-1-(4-methoxyphenyl)ethanone
PubChem CID70676957
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC Name2-[(2R)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-2-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)C[C@H]2CCCCN2C(=O)Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C24H29NO5/c1-28-20-10-8-18(9-11-20)21(26)16-19-6-4-5-13-25(19)24(27)15-17-7-12-22(29-2)23(14-17)30-3/h7-12,14,19H,4-6,13,15-16H2,1-3H3/t19-/m1/s1
InChIKeyUQHIGFAQQONOBI-LJQANCHMSA-N
XLogP3.91
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 4167532
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 34737061
2-[(2R)-1-[2-(5-acetyl-2-methoxyphenyl)acetyl]azepan-2-yl]-1-phenylethanone
CID 96533586
2-[1-(3,4-dimethoxyphenyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone
CID 141157601
2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid
CID 61009136
1-[(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 95158836
2-(4-methoxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 51095038
1-[2-(bromomethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 74554965
2-(4-methoxy-3-methylphenyl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 46981954
2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 176781017
2-(3,4-dimethoxyphenyl)-1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]ethanone
CID 51126545
1-[(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-2-piperidin-4-ylethanone
CID 124687445

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-2-yl]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[(2R)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-2-yl]-1-(4-methoxyphenyl)ethanone (CID 70676957) is 2-[(2R)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-2-yl]-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[(2R)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-2-yl]-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[(2R)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-2-yl]-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)C[C@H]2CCCCN2C(=O)Cc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-[(2R)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-2-yl]-1-(4-methoxyphenyl)ethanone?
The InChIKey is UQHIGFAQQONOBI-LJQANCHMSA-N. The full InChI is InChI=1S/C24H29NO5/c1-28-20-10-8-18(9-11-20)21(26)16-19-6-4-5-13-25(19)24(27)15-17-7-12-22(29-2)23(14-17)30-3/h7-12,14,19H,4-6,13,15-16H2,1-3H3/t19-/m1/s1.
What are the key properties of 2-[(2R)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-2-yl]-1-(4-methoxyphenyl)ethanone?
2-[(2R)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-2-yl]-1-(4-methoxyphenyl)ethanone has a molecular weight of 411.50 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-2-yl]-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 70676957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).