4-propyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxylic acid

C14H24N2O3 — CID 63125584

IUPAC4-propyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)C2CCNC2)CC1
InChIInChI=1S/C14H24N2O3/c1-2-4-14(13(18)19)5-8-16(9-6-14)12(17)11-3-7-15-10-11/h11,15H,2-10H2,1H3,(H,18,19)
InChIKeyNFLDLMTUCZUCLB-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.09
Rot. Bonds4

About 4-propyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxylic acid

4-propyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxylic acid (PubChem CID 63125584) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-propyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-propyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
PubChem CID63125584
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-propyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)C2CCNC2)CC1
InChIInChI=1S/C14H24N2O3/c1-2-4-14(13(18)19)5-8-16(9-6-14)12(17)11-3-7-15-10-11/h11,15H,2-10H2,1H3,(H,18,19)
InChIKeyNFLDLMTUCZUCLB-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63126106
3-propyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 63137721
4-ethyl-1-[(3S)-piperidine-3-carbonyl]piperidine-4-carboxylic acid
CID 81141638
1-(piperidine-4-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138207
[4-(fluoromethyl)-4-methylpiperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 129495751
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 94915615
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
(4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119803734
1-(2-morpholin-2-ylacetyl)-4-propylpiperidine-4-carboxylic acid
CID 66427689
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-propyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxylic acid (CID 63125584) is 4-propyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-propyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-propyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)C2CCNC2)CC1.
What is the InChIKey of 4-propyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is NFLDLMTUCZUCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-4-14(13(18)19)5-8-16(9-6-14)12(17)11-3-7-15-10-11/h11,15H,2-10H2,1H3,(H,18,19).
What are the key properties of 4-propyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxylic acid?
4-propyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63125584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).