methyl 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate

C16H22N2O3 — CID 109013882

IUPACmethyl 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate
SMILESCOC(=O)c1cccc(NCCC(=O)N2CCCCC2)c1
InChIInChI=1S/C16H22N2O3/c1-21-16(20)13-6-5-7-14(12-13)17-9-8-15(19)18-10-3-2-4-11-18/h5-7,12,17H,2-4,8-11H2,1H3
InChIKeyQJUAZUNLBSWLBR-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.29
Rot. Bonds5

About methyl 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate

methyl 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate (PubChem CID 109013882) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate
PubChem CID109013882
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate
SMILESCOC(=O)c1cccc(NCCC(=O)N2CCCCC2)c1
InChIInChI=1S/C16H22N2O3/c1-21-16(20)13-6-5-7-14(12-13)17-9-8-15(19)18-10-3-2-4-11-18/h5-7,12,17H,2-4,8-11H2,1H3
InChIKeyQJUAZUNLBSWLBR-UHFFFAOYSA-N
XLogP2.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[3-oxo-3-(4-pyrrolidin-1-ylanilino)propyl]amino]benzoate
CID 109041429
methyl 3-(pyrrolidine-1-carbonylamino)benzoate
CID 39732853
3-(3,4-dimethoxyanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013354
3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one
CID 109015750
1-(azepan-1-yl)-3-(3-chloro-4-methoxyanilino)propan-1-one
CID 109033534
N-(2-methoxyethyl)-3-[(2-oxo-2-piperidin-1-ylethyl)amino]benzamide
CID 54836035
3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032867
methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
CID 112786434
methyl 3-[[3-(diethylamino)-3-oxopropyl]amino]benzoate
CID 109030650
methyl 3-[[4-(azepane-1-carbonyl)benzoyl]amino]benzoate
CID 109049175
[2-(azocan-1-yl)-2-oxoethyl] 3-acetamidobenzoate
CID 17397284
3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842504

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate?
The IUPAC name of methyl 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate (CID 109013882) is methyl 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate?
The canonical SMILES for methyl 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate is COC(=O)c1cccc(NCCC(=O)N2CCCCC2)c1.
What is the InChIKey of methyl 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate?
The InChIKey is QJUAZUNLBSWLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-21-16(20)13-6-5-7-14(12-13)17-9-8-15(19)18-10-3-2-4-11-18/h5-7,12,17H,2-4,8-11H2,1H3.
What are the key properties of methyl 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate?
methyl 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate has a molecular weight of 290.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate is sourced from PubChem (CID 109013882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).