1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]piperidine-2-carboxylic acid

C20H21ClN2O3 — CID 122040449

IUPAC1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]piperidine-2-carboxylic acid
SMILESO=C(Nc1cccc(CN2CCCCC2C(=O)O)c1)c1ccccc1Cl
InChIInChI=1S/C20H21ClN2O3/c21-17-9-2-1-8-16(17)19(24)22-15-7-5-6-14(12-15)13-23-11-4-3-10-18(23)20(25)26/h1-2,5-9,12,18H,3-4,10-11,13H2,(H,22,24)(H,25,26)
InChIKeyMDEALLKCMZZCCT-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.03
Rot. Bonds5

About 1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]piperidine-2-carboxylic acid

1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]piperidine-2-carboxylic acid (PubChem CID 122040449) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]piperidine-2-carboxylic acid
PubChem CID122040449
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]piperidine-2-carboxylic acid
SMILESO=C(Nc1cccc(CN2CCCCC2C(=O)O)c1)c1ccccc1Cl
InChIInChI=1S/C20H21ClN2O3/c21-17-9-2-1-8-16(17)19(24)22-15-7-5-6-14(12-15)13-23-11-4-3-10-18(23)20(25)26/h1-2,5-9,12,18H,3-4,10-11,13H2,(H,22,24)(H,25,26)
InChIKeyMDEALLKCMZZCCT-UHFFFAOYSA-N
XLogP4.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122038743
1-[(3-chlorophenyl)methyl]azocane-2-carboxylic acid
CID 114239898
(2S)-1-[[3-[(4-methoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122038742
3-[3-[(1-benzylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
CID 120613936
(2S)-1-[(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid
CID 51441049
1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid
CID 65054111
2-chloro-N-[3-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 120905897
3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 97337283
1-[(3-cyclopentyloxyphenyl)methyl]piperidine-2-carboxylic acid
CID 122040362
2-chloro-N-[3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenyl]benzamide
CID 120967927
1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide
CID 21105013
2-chloro-N-[3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenyl]benzamide;hydrochloride
CID 120967926

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]piperidine-2-carboxylic acid (CID 122040449) is 1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]piperidine-2-carboxylic acid is O=C(Nc1cccc(CN2CCCCC2C(=O)O)c1)c1ccccc1Cl.
What is the InChIKey of 1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]piperidine-2-carboxylic acid?
The InChIKey is MDEALLKCMZZCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c21-17-9-2-1-8-16(17)19(24)22-15-7-5-6-14(12-15)13-23-11-4-3-10-18(23)20(25)26/h1-2,5-9,12,18H,3-4,10-11,13H2,(H,22,24)(H,25,26).
What are the key properties of 1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]piperidine-2-carboxylic acid?
1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]piperidine-2-carboxylic acid has a molecular weight of 372.85 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 122040449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).