3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid

C14H24N2O3 — CID 63138206

IUPAC3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)C2CCCN2)C1
InChIInChI=1S/C14H24N2O3/c1-2-6-14(13(18)19)7-4-9-16(10-14)12(17)11-5-3-8-15-11/h11,15H,2-10H2,1H3,(H,18,19)
InChIKeyCWFDMWRFLNWQFL-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.23
Rot. Bonds4

About 3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid

3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 63138206) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID63138206
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)C2CCCN2)C1
InChIInChI=1S/C14H24N2O3/c1-2-6-14(13(18)19)7-4-9-16(10-14)12(17)11-5-3-8-15-11/h11,15H,2-10H2,1H3,(H,18,19)
InChIKeyCWFDMWRFLNWQFL-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid
CID 104913910
3-propyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 104901135
1-(3-methylpiperidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 107068166
1-(piperidine-4-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138207
(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480
3-propyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 63137721
1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138101
1-(azepane-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 64570144
1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 107175461
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-(2-cyclopropylacetyl)-3-propylpiperidine-3-carboxylic acid
CID 63134594
1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63136426

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid (CID 63138206) is 3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)C2CCCN2)C1.
What is the InChIKey of 3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is CWFDMWRFLNWQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-6-14(13(18)19)7-4-9-16(10-14)12(17)11-5-3-8-15-11/h11,15H,2-10H2,1H3,(H,18,19).
What are the key properties of 3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid?
3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63138206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).