1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid

C16H27NO3 — CID 107175461

IUPAC1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)C2CCCC2C)C1
InChIInChI=1S/C16H27NO3/c1-3-8-16(15(19)20)9-5-10-17(11-16)14(18)13-7-4-6-12(13)2/h12-13H,3-11H2,1-2H3,(H,19,20)
InChIKeyFYNXJIQGVDGRAV-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.92
Rot. Bonds4

About 1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid

1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 107175461) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID107175461
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)C2CCCC2C)C1
InChIInChI=1S/C16H27NO3/c1-3-8-16(15(19)20)9-5-10-17(11-16)14(18)13-7-4-6-12(13)2/h12-13H,3-11H2,1-2H3,(H,19,20)
InChIKeyFYNXJIQGVDGRAV-UHFFFAOYSA-N
XLogP2.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylcyclopentanecarbonyl)-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

(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480
1-(3-methylpiperidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 107068166
1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138101
3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 107175456
1-(piperidine-4-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138207
3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 63138206
1-(4-aminooxolane-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 66236491
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
3-propyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 63137721
1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid
CID 104913910
1-(2-cyclopropylacetyl)-3-propylpiperidine-3-carboxylic acid
CID 63134594
1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63135923

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid (CID 107175461) is 1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)C2CCCC2C)C1.
What is the InChIKey of 1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is FYNXJIQGVDGRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-3-8-16(15(19)20)9-5-10-17(11-16)14(18)13-7-4-6-12(13)2/h12-13H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid?
1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 107175461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).