(3R)-1-[4-(2-aminoethyl)benzoyl]piperidine-3-carboxylic acid

C15H20N2O3 — CID 81120282

IUPAC(3R)-1-[4-(2-aminoethyl)benzoyl]piperidine-3-carboxylic acid
SMILESNCCc1ccc(C(=O)N2CCC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C15H20N2O3/c16-8-7-11-3-5-12(6-4-11)14(18)17-9-1-2-13(10-17)15(19)20/h3-6,13H,1-2,7-10,16H2,(H,19,20)/t13-/m1/s1
InChIKeyLOFIWEHMSPZAJN-CYBMUJFWSA-N
MW276.34 g/mol
LogP1.12
Rot. Bonds4

About (3R)-1-[4-(2-aminoethyl)benzoyl]piperidine-3-carboxylic acid

(3R)-1-[4-(2-aminoethyl)benzoyl]piperidine-3-carboxylic acid (PubChem CID 81120282) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (3R)-1-[4-(2-aminoethyl)benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[4-(2-aminoethyl)benzoyl]piperidine-3-carboxylic acid
PubChem CID81120282
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(3R)-1-[4-(2-aminoethyl)benzoyl]piperidine-3-carboxylic acid
SMILESNCCc1ccc(C(=O)N2CCC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C15H20N2O3/c16-8-7-11-3-5-12(6-4-11)14(18)17-9-1-2-13(10-17)15(19)20/h3-6,13H,1-2,7-10,16H2,(H,19,20)/t13-/m1/s1
InChIKeyLOFIWEHMSPZAJN-CYBMUJFWSA-N
XLogP1.12
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid
CID 61157537
(3S)-1-(4-propylbenzoyl)piperidine-3-carboxylic acid
CID 98019288
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
[4-(2-aminoethyl)phenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
CID 153381353
1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107727974
1-(4-benzylsulfanylbenzoyl)piperidine-3-carboxylic acid
CID 119167690
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119548062
(2S)-1-[4-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid
CID 66264234
(3S)-1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136477
1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119167329
(3S)-1-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoyl]piperidine-3-carboxylic acid
CID 119174231
2-[1-[4-(2-aminoethyl)benzoyl]azetidin-3-yl]acetic acid
CID 64605400

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(2-aminoethyl)benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[4-(2-aminoethyl)benzoyl]piperidine-3-carboxylic acid (CID 81120282) is (3R)-1-[4-(2-aminoethyl)benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[4-(2-aminoethyl)benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[4-(2-aminoethyl)benzoyl]piperidine-3-carboxylic acid is NCCc1ccc(C(=O)N2CCC[C@@H](C(=O)O)C2)cc1.
What is the InChIKey of (3R)-1-[4-(2-aminoethyl)benzoyl]piperidine-3-carboxylic acid?
The InChIKey is LOFIWEHMSPZAJN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-8-7-11-3-5-12(6-4-11)14(18)17-9-1-2-13(10-17)15(19)20/h3-6,13H,1-2,7-10,16H2,(H,19,20)/t13-/m1/s1.
What are the key properties of (3R)-1-[4-(2-aminoethyl)benzoyl]piperidine-3-carboxylic acid?
(3R)-1-[4-(2-aminoethyl)benzoyl]piperidine-3-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(2-aminoethyl)benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81120282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).