4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride

C13H17ClN2O3 — CID 178200611

IUPAC4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride
SMILESCl.NC1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C13H16N2O3.ClH/c14-11-5-7-15(8-6-11)12(16)9-1-3-10(4-2-9)13(17)18;/h1-4,11H,5-8,14H2,(H,17,18);1H
InChIKeyMWUOMXWOFZDUNH-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.37
Rot. Bonds2

About 4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride

4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride (PubChem CID 178200611) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride.

Molecular Properties

Compound Name4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride
PubChem CID178200611
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride
SMILESCl.NC1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C13H16N2O3.ClH/c14-11-5-7-15(8-6-11)12(16)9-1-3-10(4-2-9)13(17)18;/h1-4,11H,5-8,14H2,(H,17,18);1H
InChIKeyMWUOMXWOFZDUNH-UHFFFAOYSA-N
XLogP1.37
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-(4-iodophenyl)methanone
CID 43556171
(4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride
CID 119372876
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
(4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone
CID 25219406
[(3R)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119409702
(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119375608
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
4-(4-aminopiperidin-1-yl)benzoic acid
CID 18617654
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516
5-(4-aminopiperidine-1-carbonyl)pyran-2-one
CID 43556219
(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119374600
(4-aminopiperidin-1-yl)-(4-chloro-3-iodophenyl)methanone;hydrochloride
CID 119376696

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride?
The IUPAC name of 4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride (CID 178200611) is 4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride.
What is the SMILES notation for 4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride?
The canonical SMILES for 4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride is Cl.NC1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride?
The InChIKey is MWUOMXWOFZDUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3.ClH/c14-11-5-7-15(8-6-11)12(16)9-1-3-10(4-2-9)13(17)18;/h1-4,11H,5-8,14H2,(H,17,18);1H.
What are the key properties of 4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride?
4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride has a molecular weight of 284.74 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride is sourced from PubChem (CID 178200611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).