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

C11H18N2O3 — CID 63030374

IUPAC1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2CCNCC2)C1
InChIInChI=1S/C11H18N2O3/c14-10(8-1-4-12-5-2-8)13-6-3-9(7-13)11(15)16/h8-9,12H,1-7H2,(H,15,16)
InChIKeyYWOCDTPQGNCWEW-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.08
Rot. Bonds2

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

1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 63030374) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID63030374
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2CCNCC2)C1
InChIInChI=1S/C11H18N2O3/c14-10(8-1-4-12-5-2-8)13-6-3-9(7-13)11(15)16/h8-9,12H,1-7H2,(H,15,16)
InChIKeyYWOCDTPQGNCWEW-UHFFFAOYSA-N
XLogP-0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(piperidine-4-carbonyl)pyrrolidine-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

(3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120944
[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 90192135
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 129394437
1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43170987
4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 91186239
1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 10081902
pyrrolidine-1,3-dicarboxylic acid
CID 22258620
1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 81456758
1-(azepane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 64568956
piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119344916
(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 94917604
piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757

Frequently Asked Questions

What is the IUPAC name of 1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 63030374) is 1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)C2CCNCC2)C1.
What is the InChIKey of 1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YWOCDTPQGNCWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10(8-1-4-12-5-2-8)13-6-3-9(7-13)11(15)16/h8-9,12H,1-7H2,(H,15,16).
What are the key properties of 1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid?
1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63030374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).