1-(2,3-dihydro-1H-inden-2-yl)-3-propylpiperidine-3-carboxylic acid

C18H25NO2 — CID 65068501

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C18H25NO2/c1-2-8-18(17(20)21)9-5-10-19(13-18)16-11-14-6-3-4-7-15(14)12-16/h3-4,6-7,16H,2,5,8-13H2,1H3,(H,20,21)
InChIKeyZVHPVBZMBMGKPS-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.12
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-2-yl)-3-propylpiperidine-3-carboxylic acid

1-(2,3-dihydro-1H-inden-2-yl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 65068501) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-3-propylpiperidine-3-carboxylic acid
PubChem CID65068501
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C18H25NO2/c1-2-8-18(17(20)21)9-5-10-19(13-18)16-11-14-6-3-4-7-15(14)12-16/h3-4,6-7,16H,2,5,8-13H2,1H3,(H,20,21)
InChIKeyZVHPVBZMBMGKPS-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1H-inden-2-yl)-3-propylpiperidine-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

1-cycloheptyl-3-propylpiperidine-3-carboxylic acid
CID 65068602
1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
CID 65069083
1-(2-methylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
CID 65069035
1-(2-hydroxycyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
CID 55165781
1-(2-bromobenzoyl)-3-propylpiperidine-3-carboxylic acid
CID 63134142
3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid
CID 64747777
ethyl 1-(1-methylpiperidin-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 45234907
ethyl (3S)-3-benzyl-1-(1-propylpiperidin-4-yl)piperidine-3-carboxylate
CID 28732842
1-(3-methylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068943
1-[(2-methoxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63140979
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 63140989

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-propylpiperidine-3-carboxylic acid (CID 65068501) is 1-(2,3-dihydro-1H-inden-2-yl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is ZVHPVBZMBMGKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-8-18(17(20)21)9-5-10-19(13-18)16-11-14-6-3-4-7-15(14)12-16/h3-4,6-7,16H,2,5,8-13H2,1H3,(H,20,21).
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-3-propylpiperidine-3-carboxylic acid?
1-(2,3-dihydro-1H-inden-2-yl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 287.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 65068501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).