1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid

C15H27N3O3 — CID 107071372

IUPAC1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid
SMILESCCN1CCC(CNC(=O)N2CCCC(C)C2C(=O)O)C1
InChIInChI=1S/C15H27N3O3/c1-3-17-8-6-12(10-17)9-16-15(21)18-7-4-5-11(2)13(18)14(19)20/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeySEQQCYHFHSDPOD-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.22
Rot. Bonds4

About 1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid

1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107071372) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107071372
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid
SMILESCCN1CCC(CNC(=O)N2CCCC(C)C2C(=O)O)C1
InChIInChI=1S/C15H27N3O3/c1-3-17-8-6-12(10-17)9-16-15(21)18-7-4-5-11(2)13(18)14(19)20/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeySEQQCYHFHSDPOD-UHFFFAOYSA-N
XLogP1.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid (CID 107071372) is 1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid is CCN1CCC(CNC(=O)N2CCCC(C)C2C(=O)O)C1.
What is the InChIKey of 1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is SEQQCYHFHSDPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-3-17-8-6-12(10-17)9-16-15(21)18-7-4-5-11(2)13(18)14(19)20/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid?
1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107071372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).