4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid

C14H24N2O3 — CID 63126397

IUPAC4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C14H24N2O3/c1-2-5-14(12(17)18)6-10-16(11-7-14)13(19)15-8-3-4-9-15/h2-11H2,1H3,(H,17,18)
InChIKeyLXGFXFJUNCGUEW-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.17
Rot. Bonds3

About 4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid

4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid (PubChem CID 63126397) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
PubChem CID63126397
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C14H24N2O3/c1-2-5-14(12(17)18)6-10-16(11-7-14)13(19)15-8-3-4-9-15/h2-11H2,1H3,(H,17,18)
InChIKeyLXGFXFJUNCGUEW-UHFFFAOYSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-(3-methylpiperidine-1-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63126194
1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid
CID 63125470
1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145616
1-hexanoyl-4-propylpiperidine-4-carboxylic acid
CID 55178926
1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63126106
1-(3-oxopiperazine-1-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63126262
1-propylcyclooctane-1-carboxylic acid
CID 80611944
4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid
CID 63127462
1-(tert-butylcarbamoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125699
4-propyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 63125584

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid (CID 63126397) is 4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of 4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is LXGFXFJUNCGUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-5-14(12(17)18)6-10-16(11-7-14)13(19)15-8-3-4-9-15/h2-11H2,1H3,(H,17,18).
What are the key properties of 4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid?
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63126397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).