1-[(3,5-dichlorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid

C14H16Cl2N2O3 — CID 114425149

IUPAC1-[(3,5-dichlorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C(C(=O)O)C1
InChIInChI=1S/C14H16Cl2N2O3/c1-8-2-3-18(12(4-8)13(19)20)14(21)17-11-6-9(15)5-10(16)7-11/h5-8,12H,2-4H2,1H3,(H,17,21)(H,19,20)
InChIKeyMMVFHUGCUJGTSN-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.71
Rot. Bonds2

About 1-[(3,5-dichlorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid

1-[(3,5-dichlorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 114425149) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 1-[(3,5-dichlorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-dichlorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID114425149
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name1-[(3,5-dichlorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C(C(=O)O)C1
InChIInChI=1S/C14H16Cl2N2O3/c1-8-2-3-18(12(4-8)13(19)20)14(21)17-11-6-9(15)5-10(16)7-11/h5-8,12H,2-4H2,1H3,(H,17,21)(H,19,20)
InChIKeyMMVFHUGCUJGTSN-UHFFFAOYSA-N
XLogP3.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-fluoro-5-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425698
1-[(4-chloro-2-iodophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 107628481
1-[(3,5-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61185284
1-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425691
N-(3,5-dichlorophenyl)-2,4-dimethylpyrrolidine-1-carboxamide
CID 59715448
1-[(2-chloro-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114426059
(2S,4R)-4-methyl-1-[(4-methyl-3-nitrophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 100618454
1-(2,5-dichlorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421356
1-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421672
1-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114421311
1-(4-chloro-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421066
1-[(3,5-dimethylcyclohexyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425643

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichlorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(3,5-dichlorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid (CID 114425149) is 1-[(3,5-dichlorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3,5-dichlorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3,5-dichlorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C(C(=O)O)C1.
What is the InChIKey of 1-[(3,5-dichlorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is MMVFHUGCUJGTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c1-8-2-3-18(12(4-8)13(19)20)14(21)17-11-6-9(15)5-10(16)7-11/h5-8,12H,2-4H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(3,5-dichlorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
1-[(3,5-dichlorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 331.20 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichlorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114425149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).