2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid

C14H16Cl2N2O3 — CID 119955395

IUPAC2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCCC1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O3/c15-10-5-4-9(7-11(10)16)17-14(21)12-3-1-2-6-18(12)8-13(19)20/h4-5,7,12H,1-3,6,8H2,(H,17,21)(H,19,20)
InChIKeyAZOPHUUHCCBCTE-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.87
Rot. Bonds4

About 2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid

2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid (PubChem CID 119955395) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid
PubChem CID119955395
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCCC1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O3/c15-10-5-4-9(7-11(10)16)17-14(21)12-3-1-2-6-18(12)8-13(19)20/h4-5,7,12H,1-3,6,8H2,(H,17,21)(H,19,20)
InChIKeyAZOPHUUHCCBCTE-UHFFFAOYSA-N
XLogP2.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid
CID 119955394
1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
CID 43074677
N-(3,4-dichlorophenyl)-1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide
CID 43063787
(2R)-N-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 39013591
N-(3,4-dichlorophenyl)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-2-carboxamide
CID 43063775
N-(3,4-dichlorophenyl)-1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 43063745
N-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide
CID 43074702
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697918
(2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 79034954
N-(3,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide
CID 43063792
N-(3,4-dichlorophenyl)-1-(2-methylsulfanylpropanoyl)piperidine-2-carboxamide
CID 55690843
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 16909974

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid (CID 119955395) is 2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid is O=C(O)CN1CCCCC1C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid?
The InChIKey is AZOPHUUHCCBCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c15-10-5-4-9(7-11(10)16)17-14(21)12-3-1-2-6-18(12)8-13(19)20/h4-5,7,12H,1-3,6,8H2,(H,17,21)(H,19,20).
What are the key properties of 2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid?
2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid has a molecular weight of 331.20 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 119955395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).