1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid

C15H27N3O3 — CID 63548476

IUPAC1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N2CCC(N(C)C)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-4-15(13(19)20)6-9-17(10-7-15)14(21)18-8-5-12(11-18)16(2)3/h12H,4-11H2,1-3H3,(H,19,20)
InChIKeyJLEHBNKGVKYTNC-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.32
Rot. Bonds3

About 1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid

1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid (PubChem CID 63548476) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid
PubChem CID63548476
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N2CCC(N(C)C)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-4-15(13(19)20)6-9-17(10-7-15)14(21)18-8-5-12(11-18)16(2)3/h12H,4-11H2,1-3H3,(H,19,20)
InChIKeyJLEHBNKGVKYTNC-UHFFFAOYSA-N
XLogP1.32
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid (CID 63548476) is 1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)N2CCC(N(C)C)C2)CC1.
What is the InChIKey of 1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is JLEHBNKGVKYTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-4-15(13(19)20)6-9-17(10-7-15)14(21)18-8-5-12(11-18)16(2)3/h12H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid?
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63548476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).