4-[[5-(2-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid

C15H21N3O3 — CID 82034796

IUPAC4-[[5-(2-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid
SMILESCC1CCCCN1c1ccc(NC(=O)CCC(=O)O)nc1
InChIInChI=1S/C15H21N3O3/c1-11-4-2-3-9-18(11)12-5-6-13(16-10-12)17-14(19)7-8-15(20)21/h5-6,10-11H,2-4,7-9H2,1H3,(H,20,21)(H,16,17,19)
InChIKeyRKJKRYMCZIFHGS-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.26
Rot. Bonds5

About 4-[[5-(2-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid

4-[[5-(2-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid (PubChem CID 82034796) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[[5-(2-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[5-(2-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid
PubChem CID82034796
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-[[5-(2-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid
SMILESCC1CCCCN1c1ccc(NC(=O)CCC(=O)O)nc1
InChIInChI=1S/C15H21N3O3/c1-11-4-2-3-9-18(11)12-5-6-13(16-10-12)17-14(19)7-8-15(20)21/h5-6,10-11H,2-4,7-9H2,1H3,(H,20,21)(H,16,17,19)
InChIKeyRKJKRYMCZIFHGS-UHFFFAOYSA-N
XLogP2.26
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187652
4-[[6-(2-methylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 82034790
5-(2-methylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 115490753
4-[[5-(cyclohexylamino)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187428
1-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]-3-phenylurea
CID 113030715
N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113030714
tert-butyl N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]carbamate
CID 113030719
5-(2-methylpiperidin-1-yl)pyridin-2-amine
CID 43188334
1-[6-(3-aminopropanoylamino)-3-pyridinyl]piperidine-4-carboxylic acid
CID 39187771
N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113030692
N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]-4-fluorobenzamide
CID 113030675
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]propanamide
CID 113030760

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[5-(2-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid (CID 82034796) is 4-[[5-(2-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[5-(2-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[5-(2-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid is CC1CCCCN1c1ccc(NC(=O)CCC(=O)O)nc1.
What is the InChIKey of 4-[[5-(2-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid?
The InChIKey is RKJKRYMCZIFHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-4-2-3-9-18(11)12-5-6-13(16-10-12)17-14(19)7-8-15(20)21/h5-6,10-11H,2-4,7-9H2,1H3,(H,20,21)(H,16,17,19).
What are the key properties of 4-[[5-(2-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid?
4-[[5-(2-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid has a molecular weight of 291.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 82034796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).