1-[2-(3,4-dichlorophenyl)acetyl]-4-methylpiperidine-4-carboxylic acid

C15H17Cl2NO3 — CID 63123688

IUPAC1-[2-(3,4-dichlorophenyl)acetyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H17Cl2NO3/c1-15(14(20)21)4-6-18(7-5-15)13(19)9-10-2-3-11(16)12(17)8-10/h2-3,8H,4-7,9H2,1H3,(H,20,21)
InChIKeyXYDDYIGOBWFOEX-UHFFFAOYSA-N
MW330.21 g/mol
LogP3.25
Rot. Bonds3

About 1-[2-(3,4-dichlorophenyl)acetyl]-4-methylpiperidine-4-carboxylic acid

1-[2-(3,4-dichlorophenyl)acetyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 63123688) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)acetyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)acetyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID63123688
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Name1-[2-(3,4-dichlorophenyl)acetyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H17Cl2NO3/c1-15(14(20)21)4-6-18(7-5-15)13(19)9-10-2-3-11(16)12(17)8-10/h2-3,8H,4-7,9H2,1H3,(H,20,21)
InChIKeyXYDDYIGOBWFOEX-UHFFFAOYSA-N
XLogP3.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-1-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]ethanone
CID 133128631
1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 112763003
2-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylethanone
CID 10422618
1-(azepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 60629303
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 134061564
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119562541
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119562540
4-[2-(3,4-dichlorophenyl)acetyl]piperazine-1-sulfonamide
CID 63046673
1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63143059
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137019
1-[2-(3,4-dichlorophenyl)acetyl]piperidine-4-carbonitrile
CID 49064702

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)acetyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)acetyl]-4-methylpiperidine-4-carboxylic acid (CID 63123688) is 1-[2-(3,4-dichlorophenyl)acetyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)acetyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)acetyl]-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)acetyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is XYDDYIGOBWFOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c1-15(14(20)21)4-6-18(7-5-15)13(19)9-10-2-3-11(16)12(17)8-10/h2-3,8H,4-7,9H2,1H3,(H,20,21).
What are the key properties of 1-[2-(3,4-dichlorophenyl)acetyl]-4-methylpiperidine-4-carboxylic acid?
1-[2-(3,4-dichlorophenyl)acetyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 330.21 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)acetyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63123688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).