2-(2-benzylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid

C17H21NO3 — CID 119183550

IUPAC2-(2-benzylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)N1CCCCC1Cc1ccccc1
InChIInChI=1S/C17H21NO3/c19-16(14-11-15(14)17(20)21)18-9-5-4-8-13(18)10-12-6-2-1-3-7-12/h1-3,6-7,13-15H,4-5,8-11H2,(H,20,21)
InChIKeyRKCAIWHHLAVQHR-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.33
Rot. Bonds4

About 2-(2-benzylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid

2-(2-benzylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 119183550) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(2-benzylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-benzylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID119183550
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-(2-benzylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)N1CCCCC1Cc1ccccc1
InChIInChI=1S/C17H21NO3/c19-16(14-11-15(14)17(20)21)18-9-5-4-8-13(18)10-12-6-2-1-3-7-12/h1-3,6-7,13-15H,4-5,8-11H2,(H,20,21)
InChIKeyRKCAIWHHLAVQHR-UHFFFAOYSA-N
XLogP2.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-benzylpiperidine-1-carbonyl)cyclopropane-1-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

[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
(2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120619708
(5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95351095
methyl 2-benzylazepane-1-carboxylate
CID 102314657
(4-aminocyclopent-2-en-1-yl)-(2-benzylpyrrolidin-1-yl)methanone
CID 79211356
(2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone
CID 60940057
1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 95297085
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-benzylpiperidin-1-yl)methanone;hydrochloride
CID 120791287
trans-(1R,2R)-2-[(2S)-2-(fluoromethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 166299518
[(2R)-2-ethylpiperidin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 124714524
tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2-benzylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid (CID 119183550) is 2-(2-benzylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2-benzylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2-benzylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)N1CCCCC1Cc1ccccc1.
What is the InChIKey of 2-(2-benzylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is RKCAIWHHLAVQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-16(14-11-15(14)17(20)21)18-9-5-4-8-13(18)10-12-6-2-1-3-7-12/h1-3,6-7,13-15H,4-5,8-11H2,(H,20,21).
What are the key properties of 2-(2-benzylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid?
2-(2-benzylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119183550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).