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

C14H16Cl2N2O3 — CID 63123416

IUPAC1-[(2,4-dichlorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H16Cl2N2O3/c1-14(12(19)20)4-6-18(7-5-14)13(21)17-11-3-2-9(15)8-10(11)16/h2-3,8H,4-7H2,1H3,(H,17,21)(H,19,20)
InChIKeyNCYXLRYBSSBQHO-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.71
Rot. Bonds2

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

1-[(2,4-dichlorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 63123416) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID63123416
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name1-[(2,4-dichlorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H16Cl2N2O3/c1-14(12(19)20)4-6-18(7-5-14)13(21)17-11-3-2-9(15)8-10(11)16/h2-3,8H,4-7H2,1H3,(H,17,21)(H,19,20)
InChIKeyNCYXLRYBSSBQHO-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-[(2-bromo-4-chlorophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 81281422
1-[(4-chloro-3-fluorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124130
1-[(2-bromo-5-chlorophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 81280174
1-[[4-chloro-2-(difluoromethoxy)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122089952
3-methyl-1-[(2,4,6-trichlorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63145650
1-[(4-chloro-2-fluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136853
(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120293
1-[[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122088004
1-[(2-chloro-5-fluorophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 107530206
N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 4591854
4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 113112852
N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 22615613

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(2,4-dichlorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid (CID 63123416) is 1-[(2,4-dichlorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2,4-dichlorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is NCYXLRYBSSBQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c1-14(12(19)20)4-6-18(7-5-14)13(21)17-11-3-2-9(15)8-10(11)16/h2-3,8H,4-7H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(2,4-dichlorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
1-[(2,4-dichlorophenyl)carbamoyl]-4-methylpiperidine-4-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-[(2,4-dichlorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63123416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).