1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid

C14H18N2O3 — CID 61157537

IUPAC1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid
SMILESNCc1ccc(C(=O)N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C14H18N2O3/c15-8-10-3-5-11(6-4-10)13(17)16-7-1-2-12(9-16)14(18)19/h3-6,12H,1-2,7-9,15H2,(H,18,19)
InChIKeyRWGGSXABUMCRKB-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.08
Rot. Bonds3

About 1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid

1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid (PubChem CID 61157537) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid
PubChem CID61157537
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid
SMILESNCc1ccc(C(=O)N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C14H18N2O3/c15-8-10-3-5-11(6-4-10)13(17)16-7-1-2-12(9-16)14(18)19/h3-6,12H,1-2,7-9,15H2,(H,18,19)
InChIKeyRWGGSXABUMCRKB-UHFFFAOYSA-N
XLogP1.08
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[4-(2-aminoethyl)benzoyl]piperidine-3-carboxylic acid
CID 81120282
(3S)-1-(4-propylbenzoyl)piperidine-3-carboxylic acid
CID 98019288
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 119277068
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107727974
1-(4-benzylsulfanylbenzoyl)piperidine-3-carboxylic acid
CID 119167690
(3S)-1-(3-aminobenzoyl)piperidine-3-carboxylic acid
CID 81125780
(3S)-1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136477
[4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
CID 54985369
1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119167329

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid (CID 61157537) is 1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid is NCc1ccc(C(=O)N2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid?
The InChIKey is RWGGSXABUMCRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-8-10-3-5-11(6-4-10)13(17)16-7-1-2-12(9-16)14(18)19/h3-6,12H,1-2,7-9,15H2,(H,18,19).
What are the key properties of 1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid?
1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 61157537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).