1-[3-(2,4-dichlorophenyl)propylcarbamoyl]piperidine-3-carboxylic acid

C16H20Cl2N2O3 — CID 122004839

IUPAC1-[3-(2,4-dichlorophenyl)propylcarbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NCCCc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C16H20Cl2N2O3/c17-13-6-5-11(14(18)9-13)3-1-7-19-16(23)20-8-2-4-12(10-20)15(21)22/h5-6,9,12H,1-4,7-8,10H2,(H,19,23)(H,21,22)
InChIKeyUHDOBCLGUIINNV-UHFFFAOYSA-N
MW359.25 g/mol
LogP3.43
Rot. Bonds5

About 1-[3-(2,4-dichlorophenyl)propylcarbamoyl]piperidine-3-carboxylic acid

1-[3-(2,4-dichlorophenyl)propylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122004839) has the molecular formula C16H20Cl2N2O3 and a molecular weight of 359.25 g/mol. Its IUPAC name is 1-[3-(2,4-dichlorophenyl)propylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2,4-dichlorophenyl)propylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122004839
Molecular FormulaC16H20Cl2N2O3
Molecular Weight359.25 g/mol
Exact Mass358.09
IUPAC Name1-[3-(2,4-dichlorophenyl)propylcarbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NCCCc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C16H20Cl2N2O3/c17-13-6-5-11(14(18)9-13)3-1-7-19-16(23)20-8-2-4-12(10-20)15(21)22/h5-6,9,12H,1-4,7-8,10H2,(H,19,23)(H,21,22)
InChIKeyUHDOBCLGUIINNV-UHFFFAOYSA-N
XLogP3.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(2,4-dichlorophenyl)propylcarbamoyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122009024
(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120293
1-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122090594
1-[2-(4-chloro-3-methylphenyl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122014927
1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122001294
1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399
1-[2-(4-chloro-3-fluorophenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122016449
(3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 126422673
1-[(2,5-difluorophenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63791734
(3R)-1-(pent-4-ynylcarbamoyl)piperidine-3-carboxylic acid
CID 106222833
(3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 106239155
1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122012056

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dichlorophenyl)propylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(2,4-dichlorophenyl)propylcarbamoyl]piperidine-3-carboxylic acid (CID 122004839) is 1-[3-(2,4-dichlorophenyl)propylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(2,4-dichlorophenyl)propylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(2,4-dichlorophenyl)propylcarbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)NCCCc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-[3-(2,4-dichlorophenyl)propylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is UHDOBCLGUIINNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O3/c17-13-6-5-11(14(18)9-13)3-1-7-19-16(23)20-8-2-4-12(10-20)15(21)22/h5-6,9,12H,1-4,7-8,10H2,(H,19,23)(H,21,22).
What are the key properties of 1-[3-(2,4-dichlorophenyl)propylcarbamoyl]piperidine-3-carboxylic acid?
1-[3-(2,4-dichlorophenyl)propylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 359.25 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dichlorophenyl)propylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122004839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).