(3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid

C18H24N2O3 — CID 124778099

IUPAC(3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C18H24N2O3/c21-17(20-10-8-16(13-20)18(22)23)15-7-4-9-19(12-15)11-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,22,23)/t15-,16-/m1/s1
InChIKeyDJGMQEVYAVCLHX-HZPDHXFCSA-N
MW316.40 g/mol
LogP1.83
Rot. Bonds4

About (3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid

(3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 124778099) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID124778099
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C18H24N2O3/c21-17(20-10-8-16(13-20)18(22)23)15-7-4-9-19(12-15)11-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,22,23)/t15-,16-/m1/s1
InChIKeyDJGMQEVYAVCLHX-HZPDHXFCSA-N
XLogP1.83
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-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

[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
CID 119915515
1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid
CID 119349333
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone
CID 93491661
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920520
1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 24904650
[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2930824
(4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone
CID 3482407
1-[(3S,4S)-1-benzyl-4-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 136583233

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid (CID 124778099) is (3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)C1.
What is the InChIKey of (3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is DJGMQEVYAVCLHX-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17(20-10-8-16(13-20)18(22)23)15-7-4-9-19(12-15)11-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,22,23)/t15-,16-/m1/s1.
What are the key properties of (3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
(3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 316.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124778099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).