methyl 3-(3-aminopiperidine-1-carbonyl)benzoate

C14H18N2O3 — CID 176515174

IUPACmethyl 3-(3-aminopiperidine-1-carbonyl)benzoate
SMILESCOC(=O)c1cccc(C(=O)N2CCCC(N)C2)c1
InChIInChI=1S/C14H18N2O3/c1-19-14(18)11-5-2-4-10(8-11)13(17)16-7-3-6-12(15)9-16/h2,4-5,8,12H,3,6-7,9,15H2,1H3
InChIKeyIDKXTSBDASRJJE-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.04
Rot. Bonds2

About methyl 3-(3-aminopiperidine-1-carbonyl)benzoate

methyl 3-(3-aminopiperidine-1-carbonyl)benzoate (PubChem CID 176515174) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 3-(3-aminopiperidine-1-carbonyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(3-aminopiperidine-1-carbonyl)benzoate
PubChem CID176515174
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 3-(3-aminopiperidine-1-carbonyl)benzoate
SMILESCOC(=O)c1cccc(C(=O)N2CCCC(N)C2)c1
InChIInChI=1S/C14H18N2O3/c1-19-14(18)11-5-2-4-10(8-11)13(17)16-7-3-6-12(15)9-16/h2,4-5,8,12H,3,6-7,9,15H2,1H3
InChIKeyIDKXTSBDASRJJE-UHFFFAOYSA-N
XLogP1.04
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-aminopiperidine-1-carbonyl)-5-hydroxybenzoate;hydrochloride
CID 154907673
(3-aminopiperidin-1-yl)-(3-sulfanylphenyl)methanone
CID 107023968
3-(3-aminopiperidine-1-carbonyl)-N-propylbenzamide
CID 119377560
(3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone
CID 141208538
(3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride
CID 119377080
methyl 3-[4-(aminomethyl)piperidine-1-carbonyl]benzoate
CID 176515172
(3-aminopiperidin-1-yl)-[3-(difluoromethyl)phenyl]methanone
CID 176515168
methyl 3-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]benzoate
CID 74229736
3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119377248
methyl 3-[(3S)-3-methylpiperazine-1-carbonyl]benzoate
CID 176515178
1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone
CID 119062026
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-aminopiperidine-1-carbonyl)benzoate?
The IUPAC name of methyl 3-(3-aminopiperidine-1-carbonyl)benzoate (CID 176515174) is methyl 3-(3-aminopiperidine-1-carbonyl)benzoate.
What is the SMILES notation for methyl 3-(3-aminopiperidine-1-carbonyl)benzoate?
The canonical SMILES for methyl 3-(3-aminopiperidine-1-carbonyl)benzoate is COC(=O)c1cccc(C(=O)N2CCCC(N)C2)c1.
What is the InChIKey of methyl 3-(3-aminopiperidine-1-carbonyl)benzoate?
The InChIKey is IDKXTSBDASRJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-14(18)11-5-2-4-10(8-11)13(17)16-7-3-6-12(15)9-16/h2,4-5,8,12H,3,6-7,9,15H2,1H3.
What are the key properties of methyl 3-(3-aminopiperidine-1-carbonyl)benzoate?
methyl 3-(3-aminopiperidine-1-carbonyl)benzoate has a molecular weight of 262.31 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-aminopiperidine-1-carbonyl)benzoate is sourced from PubChem (CID 176515174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).