(3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid

C15H26N2O3 — CID 97144655

IUPAC(3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid
SMILESCCC[C@@]1(C(=O)O)CCCN(C(=O)CN2CCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-2-6-15(14(19)20)7-5-10-17(12-15)13(18)11-16-8-3-4-9-16/h2-12H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyADIAQTDXSMMEHB-OAHLLOKOSA-N
MW282.38 g/mol
LogP1.58
Rot. Bonds5

About (3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid

(3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid (PubChem CID 97144655) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid
PubChem CID97144655
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid
SMILESCCC[C@@]1(C(=O)O)CCCN(C(=O)CN2CCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-2-6-15(14(19)20)7-5-10-17(12-15)13(18)11-16-8-3-4-9-16/h2-12H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyADIAQTDXSMMEHB-OAHLLOKOSA-N
XLogP1.58
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)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

1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-(2-cyclopropylacetyl)-3-propylpiperidine-3-carboxylic acid
CID 63134594
3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid
CID 63140519
1-(3-amino-3-methylbutanoyl)-3-propylpiperidine-3-carboxylic acid
CID 64676856
1-[2-(1,4-diazepan-1-yl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134718
3-propyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 63134195
3-propyl-1-[2-(triazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 115348165
(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480
1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138101
3-(3-methoxypropyl)-1-[2-(4-methyl-1,4-diazepan-1-yl)acetyl]piperidine-3-carboxylic acid
CID 72849133
1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63136426
1-(5-amino-4-methylpentanoyl)-3-propylpiperidine-3-carboxylic acid
CID 82012183

Frequently Asked Questions

What is the IUPAC name of (3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid (CID 97144655) is (3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid is CCC[C@@]1(C(=O)O)CCCN(C(=O)CN2CCCC2)C1.
What is the InChIKey of (3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid?
The InChIKey is ADIAQTDXSMMEHB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-6-15(14(19)20)7-5-10-17(12-15)13(18)11-16-8-3-4-9-16/h2-12H2,1H3,(H,19,20)/t15-/m1/s1.
What are the key properties of (3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid?
(3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 97144655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).