(3S)-1-(1-benzylpiperidin-4-yl)piperidine-3-carboxylic acid

C18H26N2O2 — CID 92825917

IUPAC(3S)-1-(1-benzylpiperidin-4-yl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C18H26N2O2/c21-18(22)16-7-4-10-20(14-16)17-8-11-19(12-9-17)13-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14H2,(H,21,22)/t16-/m0/s1
InChIKeyFQJRNANEXAASHA-INIZCTEOSA-N
MW302.42 g/mol
LogP2.45
Rot. Bonds4

About (3S)-1-(1-benzylpiperidin-4-yl)piperidine-3-carboxylic acid

(3S)-1-(1-benzylpiperidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 92825917) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (3S)-1-(1-benzylpiperidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(1-benzylpiperidin-4-yl)piperidine-3-carboxylic acid
PubChem CID92825917
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(3S)-1-(1-benzylpiperidin-4-yl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C18H26N2O2/c21-18(22)16-7-4-10-20(14-16)17-8-11-19(12-9-17)13-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14H2,(H,21,22)/t16-/m0/s1
InChIKeyFQJRNANEXAASHA-INIZCTEOSA-N
XLogP2.45
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(1-benzylpiperidin-4-yl)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Skf 89976
CID 92409
(3S)-1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid
CID 6604015
1-(4,4-Diphenylbut-3-en-1-yl)piperidine-3-carboxylic acid hydrochloride
CID 6917797
(R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carboxylic acid
CID 9797818
(3R)-1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid;hydrochloride
CID 73345889
1-[(E)-5,5-diphenylpent-2-enyl]piperidine-3-carboxylic acid
CID 145989849
3-Phenyl-3-{[1-(3-piperidin-4-yl-propionyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 15887956
Methyl 1-benzylpiperidine-3-carboxylate
CID 10059878
(3R)-1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid;hydrochloride
CID 45264888
(R)-1-(6,6-Diphenyl-hexyl)-piperidine-3-carboxylic acid; hydrochloride
CID 10570870
(3R)-1-(6,6-diphenylhex-5-enyl)piperidine-3-carboxylic acid;hydrochloride
CID 45262107
1-(5,5-Diphenylpent-4-enyl)piperidine-3-carboxylic acid
CID 13125081

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-benzylpiperidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(1-benzylpiperidin-4-yl)piperidine-3-carboxylic acid (CID 92825917) is (3S)-1-(1-benzylpiperidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(1-benzylpiperidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(1-benzylpiperidin-4-yl)piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of (3S)-1-(1-benzylpiperidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is FQJRNANEXAASHA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-18(22)16-7-4-10-20(14-16)17-8-11-19(12-9-17)13-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14H2,(H,21,22)/t16-/m0/s1.
What are the key properties of (3S)-1-(1-benzylpiperidin-4-yl)piperidine-3-carboxylic acid?
(3S)-1-(1-benzylpiperidin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 302.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-benzylpiperidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 92825917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).