methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate

C15H20N2O3 — CID 566860

IUPACmethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CN2CCCCC2)cc1
InChIInChI=1S/C15H20N2O3/c1-20-15(19)12-5-7-13(8-6-12)16-14(18)11-17-9-3-2-4-10-17/h5-8H,2-4,9-11H2,1H3,(H,16,18)
InChIKeySWIBPVZSSKYPJA-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.90
Rot. Bonds4

About methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate

methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate (PubChem CID 566860) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
PubChem CID566860
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CN2CCCCC2)cc1
InChIInChI=1S/C15H20N2O3/c1-20-15(19)12-5-7-13(8-6-12)16-14(18)11-17-9-3-2-4-10-17/h5-8H,2-4,9-11H2,1H3,(H,16,18)
InChIKeySWIBPVZSSKYPJA-UHFFFAOYSA-N
XLogP1.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2-pyrrolidin-1-ylacetyl)amino]benzoate
CID 558416
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54814562
methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
CID 9068811
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
methyl 4-[[2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]acetyl]amino]benzoate
CID 60511148
N-[4-(2-ethoxyacetyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 9172199
N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704274
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814594
3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide
CID 54815187
methyl 4-[[2-(4-piperidin-1-ylphenyl)acetyl]amino]benzoate
CID 110409606
methyl 4-[[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]benzoate
CID 8721055

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate?
The IUPAC name of methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate (CID 566860) is methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate is COC(=O)c1ccc(NC(=O)CN2CCCCC2)cc1.
What is the InChIKey of methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate?
The InChIKey is SWIBPVZSSKYPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-20-15(19)12-5-7-13(8-6-12)16-14(18)11-17-9-3-2-4-10-17/h5-8H,2-4,9-11H2,1H3,(H,16,18).
What are the key properties of methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate?
methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate has a molecular weight of 276.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate is sourced from PubChem (CID 566860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).