methyl 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoate

C15H19ClN2O3 — CID 61028552

IUPACmethyl 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)CC1CCNCC1
InChIInChI=1S/C15H19ClN2O3/c1-21-15(20)12-3-2-11(16)9-13(12)18-14(19)8-10-4-6-17-7-5-10/h2-3,9-10,17H,4-8H2,1H3,(H,18,19)
InChIKeyPPLUHDKKMIZICZ-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.45
Rot. Bonds4

About methyl 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoate

methyl 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoate (PubChem CID 61028552) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is methyl 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoate
PubChem CID61028552
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Namemethyl 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)CC1CCNCC1
InChIInChI=1S/C15H19ClN2O3/c1-21-15(20)12-3-2-11(16)9-13(12)18-14(19)8-10-4-6-17-7-5-10/h2-3,9-10,17H,4-8H2,1H3,(H,18,19)
InChIKeyPPLUHDKKMIZICZ-UHFFFAOYSA-N
XLogP2.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoic acid
CID 61158830
N-[5-chloro-2-(dimethylamino)phenyl]-2-piperidin-4-ylacetamide
CID 61029113
methyl 5-fluoro-2-[(2-piperidin-4-ylacetyl)amino]benzoate
CID 61030182
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
CID 119713086
methyl 4-chloro-2-(4-hydroxybutanoylamino)benzoate
CID 79203242
N-(2-methoxy-5-methylphenyl)-2-piperidin-4-ylacetamide
CID 24692557
methyl 5-chloro-2-piperidin-4-ylbenzoate
CID 59662176
[4-chloro-2-[(2-cyclopropylacetyl)amino]phenyl]boronic acid
CID 164645579
methyl 2-(5-bromopentanoylamino)-4-chlorobenzoate
CID 107907432
2-cyclopentyl-N-(2,5-dichlorophenyl)acetamide
CID 7733768
N-(5-chloro-2-methoxyphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 119929559

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoate?
The IUPAC name of methyl 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoate (CID 61028552) is methyl 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoate.
What is the SMILES notation for methyl 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoate?
The canonical SMILES for methyl 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoate is COC(=O)c1ccc(Cl)cc1NC(=O)CC1CCNCC1.
What is the InChIKey of methyl 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoate?
The InChIKey is PPLUHDKKMIZICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-21-15(20)12-3-2-11(16)9-13(12)18-14(19)8-10-4-6-17-7-5-10/h2-3,9-10,17H,4-8H2,1H3,(H,18,19).
What are the key properties of methyl 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoate?
methyl 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoate has a molecular weight of 310.78 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoate is sourced from PubChem (CID 61028552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).