1-(piperidin-4-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid

C15H27N3O3 — CID 63136658

IUPAC1-(piperidin-4-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)NC2CCNCC2)C1
InChIInChI=1S/C15H27N3O3/c1-2-6-15(13(19)20)7-3-10-18(11-15)14(21)17-12-4-8-16-9-5-12/h12,16H,2-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyOGRBKNILUCCAML-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.41
Rot. Bonds4

About 1-(piperidin-4-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid

1-(piperidin-4-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 63136658) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(piperidin-4-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(piperidin-4-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID63136658
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-(piperidin-4-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)NC2CCNCC2)C1
InChIInChI=1S/C15H27N3O3/c1-2-6-15(13(19)20)7-3-10-18(11-15)14(21)17-12-4-8-16-9-5-12/h12,16H,2-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyOGRBKNILUCCAML-UHFFFAOYSA-N
XLogP1.41
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-4-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(piperidin-4-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid (CID 63136658) is 1-(piperidin-4-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(piperidin-4-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(piperidin-4-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)NC2CCNCC2)C1.
What is the InChIKey of 1-(piperidin-4-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is OGRBKNILUCCAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-2-6-15(13(19)20)7-3-10-18(11-15)14(21)17-12-4-8-16-9-5-12/h12,16H,2-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-(piperidin-4-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid?
1-(piperidin-4-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-4-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63136658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).