1-[[(1R)-1-(2,5-dichlorophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid

C15H18Cl2N2O3 — CID 122010841

IUPAC1-[[(1R)-1-(2,5-dichlorophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid
SMILESC[C@@H](NC(=O)N1CCC(C(=O)O)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H18Cl2N2O3/c1-9(12-8-11(16)2-3-13(12)17)18-15(22)19-6-4-10(5-7-19)14(20)21/h2-3,8-10H,4-7H2,1H3,(H,18,22)(H,20,21)/t9-/m1/s1
InChIKeyRPZUZAKJRAHZFA-SECBINFHSA-N
MW345.23 g/mol
LogP3.56
Rot. Bonds3

About 1-[[(1R)-1-(2,5-dichlorophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid

1-[[(1R)-1-(2,5-dichlorophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122010841) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is 1-[[(1R)-1-(2,5-dichlorophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[(1R)-1-(2,5-dichlorophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122010841
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC Name1-[[(1R)-1-(2,5-dichlorophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid
SMILESC[C@@H](NC(=O)N1CCC(C(=O)O)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H18Cl2N2O3/c1-9(12-8-11(16)2-3-13(12)17)18-15(22)19-6-4-10(5-7-19)14(20)21/h2-3,8-10H,4-7H2,1H3,(H,18,22)(H,20,21)/t9-/m1/s1
InChIKeyRPZUZAKJRAHZFA-SECBINFHSA-N
XLogP3.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(1R)-1-(2,5-dichlorophenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122010844
1-[[(1S)-1-(2-chlorophenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015572
1-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122002832
1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122012056
1-[[(2,5-dichlorophenyl)-phenylmethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122009769
1-[1-(4-fluoro-3-methylphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122005611
1-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122009563
1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid
CID 122011951
1-[1-(2,5-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid
CID 106745319
1-[1-(2-nitrophenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122009042
1-[1-(2,4-dichlorophenyl)ethyl]piperidine-4-carboxylic acid
CID 3945055
4-(3,4-dichlorobenzoyl)-N-[(1S)-1-(2-methylphenyl)ethyl]piperidine-1-carboxamide
CID 97007454

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-(2,5-dichlorophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[(1R)-1-(2,5-dichlorophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid (CID 122010841) is 1-[[(1R)-1-(2,5-dichlorophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[(1R)-1-(2,5-dichlorophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[(1R)-1-(2,5-dichlorophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid is C[C@@H](NC(=O)N1CCC(C(=O)O)CC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[[(1R)-1-(2,5-dichlorophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is RPZUZAKJRAHZFA-SECBINFHSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c1-9(12-8-11(16)2-3-13(12)17)18-15(22)19-6-4-10(5-7-19)14(20)21/h2-3,8-10H,4-7H2,1H3,(H,18,22)(H,20,21)/t9-/m1/s1.
What are the key properties of 1-[[(1R)-1-(2,5-dichlorophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[(1R)-1-(2,5-dichlorophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 345.23 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-1-(2,5-dichlorophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122010841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).