1-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid

C19H25ClN2O4 — CID 119236410

IUPAC1-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)C(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN2O4/c1-19(2,14-4-6-15(20)7-5-14)18(26)21(3)12-16(23)22-10-8-13(9-11-22)17(24)25/h4-7,13H,8-12H2,1-3H3,(H,24,25)
InChIKeyWNSWNMHOTJHANM-UHFFFAOYSA-N
MW380.87 g/mol
LogP2.40
Rot. Bonds5

About 1-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid

1-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid (PubChem CID 119236410) has the molecular formula C19H25ClN2O4 and a molecular weight of 380.87 g/mol. Its IUPAC name is 1-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid
PubChem CID119236410
Molecular FormulaC19H25ClN2O4
Molecular Weight380.87 g/mol
Exact Mass380.15
IUPAC Name1-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)C(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN2O4/c1-19(2,14-4-6-15(20)7-5-14)18(26)21(3)12-16(23)22-10-8-13(9-11-22)17(24)25/h4-7,13H,8-12H2,1-3H3,(H,24,25)
InChIKeyWNSWNMHOTJHANM-UHFFFAOYSA-N
XLogP2.40
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236282
2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetic acid
CID 110466167
1-[2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119235996
1-[2-[[2-(4-ethylphenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120689268
1-[2-[3-(4-tert-butylphenyl)propanoyl-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236178
N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylpropanamide
CID 119454636
1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 45341294
1-[2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119235976
1-[2-[(3-bromofuran-2-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525575
3-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]propanoic acid
CID 119233245
2-(4-chlorophenyl)-N,N,2-trimethylpropanamide
CID 71939020
1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 43354178

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid (CID 119236410) is 1-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid is CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)C(C)(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is WNSWNMHOTJHANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O4/c1-19(2,14-4-6-15(20)7-5-14)18(26)21(3)12-16(23)22-10-8-13(9-11-22)17(24)25/h4-7,13H,8-12H2,1-3H3,(H,24,25).
What are the key properties of 1-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid?
1-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 380.87 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119236410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).