1-(3-piperidin-2-ylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid

C16H28N2O3 — CID 63144926

IUPAC1-(3-piperidin-2-ylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)CCC2CCCCN2)C1
InChIInChI=1S/C16H28N2O3/c1-2-8-16(15(20)21)9-11-18(12-16)14(19)7-6-13-5-3-4-10-17-13/h13,17H,2-12H2,1H3,(H,20,21)
InChIKeyLHBZREGGHAVOLB-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.01
Rot. Bonds6

About 1-(3-piperidin-2-ylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid

1-(3-piperidin-2-ylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63144926) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(3-piperidin-2-ylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-piperidin-2-ylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63144926
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(3-piperidin-2-ylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)CCC2CCCCN2)C1
InChIInChI=1S/C16H28N2O3/c1-2-8-16(15(20)21)9-11-18(12-16)14(19)7-6-13-5-3-4-10-17-13/h13,17H,2-12H2,1H3,(H,20,21)
InChIKeyLHBZREGGHAVOLB-UHFFFAOYSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclohexylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144756
3-propyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 104901135
1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid
CID 104913910
1-(2,2-dimethylmorpholin-4-yl)-3-piperidin-2-ylpropan-1-one
CID 62212610
1-[3-(methylamino)propanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63145151
3-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxylic acid
CID 66421306
1-(3-methylsulfonylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63146034
1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145461
1-(azepane-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 64570144
3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 63138206
1-(2-cyclopropylacetyl)-3-propylpiperidine-3-carboxylic acid
CID 63134594
1-(1,4-diazepan-1-yl)-3-piperidin-2-ylpropan-1-one
CID 62210868

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-2-ylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-piperidin-2-ylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid (CID 63144926) is 1-(3-piperidin-2-ylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-piperidin-2-ylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-piperidin-2-ylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)CCC2CCCCN2)C1.
What is the InChIKey of 1-(3-piperidin-2-ylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is LHBZREGGHAVOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-8-16(15(20)21)9-11-18(12-16)14(19)7-6-13-5-3-4-10-17-13/h13,17H,2-12H2,1H3,(H,20,21).
What are the key properties of 1-(3-piperidin-2-ylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(3-piperidin-2-ylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-2-ylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63144926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).