1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid

C17H27N3O4 — CID 119355521

IUPAC1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)C1CCCN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C17H27N3O4/c21-15(20-10-4-8-14(20)16(22)23)12-5-3-9-19(11-12)17(24)18-13-6-1-2-7-13/h12-14H,1-11H2,(H,18,24)(H,22,23)
InChIKeyDIEHIXXRQQPETH-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.43
Rot. Bonds3

About 1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid

1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 119355521) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID119355521
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)C1CCCN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C17H27N3O4/c21-15(20-10-4-8-14(20)16(22)23)12-5-3-9-19(11-12)17(24)18-13-6-1-2-7-13/h12-14H,1-11H2,(H,18,24)(H,22,23)
InChIKeyDIEHIXXRQQPETH-UHFFFAOYSA-N
XLogP1.43
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119353705
(2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66262849
1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 43171073
(2R)-1-(cyclopentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78922982
(2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61137336
(2R)-1-(cyclobutylcarbamoyl)piperidine-2-carboxylic acid
CID 94424057
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-2-carboxylic acid
CID 102557880

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid (CID 119355521) is 1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)C1CCCN(C(=O)NC2CCCC2)C1.
What is the InChIKey of 1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is DIEHIXXRQQPETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c21-15(20-10-4-8-14(20)16(22)23)12-5-3-9-19(11-12)17(24)18-13-6-1-2-7-13/h12-14H,1-11H2,(H,18,24)(H,22,23).
What are the key properties of 1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid?
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 337.42 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119355521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).