1-(1-carbamoylpiperidine-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid

C14H23N3O4 — CID 63144541

IUPAC1-(1-carbamoylpiperidine-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C2CCCN(C(N)=O)C2)C1
InChIInChI=1S/C14H23N3O4/c1-2-14(12(19)20)5-7-17(9-14)11(18)10-4-3-6-16(8-10)13(15)21/h10H,2-9H2,1H3,(H2,15,21)(H,19,20)
InChIKeyQRDRGBUQCHYNAF-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.49
Rot. Bonds3

About 1-(1-carbamoylpiperidine-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid

1-(1-carbamoylpiperidine-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid (PubChem CID 63144541) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(1-carbamoylpiperidine-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-carbamoylpiperidine-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
PubChem CID63144541
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name1-(1-carbamoylpiperidine-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C2CCCN(C(N)=O)C2)C1
InChIInChI=1S/C14H23N3O4/c1-2-14(12(19)20)5-7-17(9-14)11(18)10-4-3-6-16(8-10)13(15)21/h10H,2-9H2,1H3,(H2,15,21)(H,19,20)
InChIKeyQRDRGBUQCHYNAF-UHFFFAOYSA-N
XLogP0.49
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-azaspiro[4.5]decane-2-carbonyl)piperidine-1-carboxamide
CID 71929504
3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 80707295
1-(2-aminocyclopentanecarbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 64824663
1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138101
3-ethyl-1-(2-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 106740017
1-(azepane-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 64570144
3-ethyl-1-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 104855679
(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480
3-ethyl-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 106588062
(3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 97128394
4-ethyl-1-[(3S)-piperidine-3-carbonyl]piperidine-4-carboxylic acid
CID 81141638
1-[(3R)-3-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]propan-1-one
CID 97095137

Frequently Asked Questions

What is the IUPAC name of 1-(1-carbamoylpiperidine-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-carbamoylpiperidine-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid (CID 63144541) is 1-(1-carbamoylpiperidine-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-carbamoylpiperidine-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-carbamoylpiperidine-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)C2CCCN(C(N)=O)C2)C1.
What is the InChIKey of 1-(1-carbamoylpiperidine-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is QRDRGBUQCHYNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-2-14(12(19)20)5-7-17(9-14)11(18)10-4-3-6-16(8-10)13(15)21/h10H,2-9H2,1H3,(H2,15,21)(H,19,20).
What are the key properties of 1-(1-carbamoylpiperidine-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
1-(1-carbamoylpiperidine-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-carbamoylpiperidine-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63144541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).