methyl 2-chloro-5-[(2-piperidin-3-ylacetyl)amino]benzoate

C15H19ClN2O3 — CID 62676837

IUPACmethyl 2-chloro-5-[(2-piperidin-3-ylacetyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)CC2CCCNC2)ccc1Cl
InChIInChI=1S/C15H19ClN2O3/c1-21-15(20)12-8-11(4-5-13(12)16)18-14(19)7-10-3-2-6-17-9-10/h4-5,8,10,17H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyXXTSZHXMDVBKAW-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.45
Rot. Bonds4

About methyl 2-chloro-5-[(2-piperidin-3-ylacetyl)amino]benzoate

methyl 2-chloro-5-[(2-piperidin-3-ylacetyl)amino]benzoate (PubChem CID 62676837) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is methyl 2-chloro-5-[(2-piperidin-3-ylacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[(2-piperidin-3-ylacetyl)amino]benzoate
PubChem CID62676837
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Namemethyl 2-chloro-5-[(2-piperidin-3-ylacetyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)CC2CCCNC2)ccc1Cl
InChIInChI=1S/C15H19ClN2O3/c1-21-15(20)12-8-11(4-5-13(12)16)18-14(19)7-10-3-2-6-17-9-10/h4-5,8,10,17H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyXXTSZHXMDVBKAW-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

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperidin-3-ylacetamide
CID 62675986
N-(4-tert-butylphenyl)-2-piperidin-3-ylacetamide
CID 62690880
methyl 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chlorobenzoate;hydrochloride
CID 119794116
N-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide
CID 114259816
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 103815619
N-[3-(2-methoxyethoxy)phenyl]-2-piperidin-3-ylacetamide
CID 62675255
N-[4-chloro-3-(piperidin-3-ylmethylamino)phenyl]propanamide
CID 80553647
2-piperidin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 62689337
4-chloro-3-[(2-piperidin-3-ylacetyl)amino]benzoic acid
CID 62675976
N,N-dimethyl-4-[(2-piperidin-3-ylacetyl)amino]benzamide
CID 62676306
N-(3-chloro-5-fluorophenyl)-2-piperidin-3-ylacetamide
CID 107365833
2-chloro-5-(piperidin-3-ylmethylamino)benzoic acid
CID 80554039

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[(2-piperidin-3-ylacetyl)amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[(2-piperidin-3-ylacetyl)amino]benzoate (CID 62676837) is methyl 2-chloro-5-[(2-piperidin-3-ylacetyl)amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[(2-piperidin-3-ylacetyl)amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[(2-piperidin-3-ylacetyl)amino]benzoate is COC(=O)c1cc(NC(=O)CC2CCCNC2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[(2-piperidin-3-ylacetyl)amino]benzoate?
The InChIKey is XXTSZHXMDVBKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-21-15(20)12-8-11(4-5-13(12)16)18-14(19)7-10-3-2-6-17-9-10/h4-5,8,10,17H,2-3,6-7,9H2,1H3,(H,18,19).
What are the key properties of methyl 2-chloro-5-[(2-piperidin-3-ylacetyl)amino]benzoate?
methyl 2-chloro-5-[(2-piperidin-3-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 2-chloro-5-[(2-piperidin-3-ylacetyl)amino]benzoate is sourced from PubChem (CID 62676837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).