4-[[6-(2-methylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid

C15H21N3O3 — CID 82034790

IUPAC4-[[6-(2-methylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid
SMILESCC1CCCCN1c1ccc(NC(=O)CCC(=O)O)cn1
InChIInChI=1S/C15H21N3O3/c1-11-4-2-3-9-18(11)13-6-5-12(10-16-13)17-14(19)7-8-15(20)21/h5-6,10-11H,2-4,7-9H2,1H3,(H,17,19)(H,20,21)
InChIKeyHGINRUHCJIJWHY-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.26
Rot. Bonds5

About 4-[[6-(2-methylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid

4-[[6-(2-methylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid (PubChem CID 82034790) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[[6-(2-methylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[6-(2-methylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid
PubChem CID82034790
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-[[6-(2-methylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid
SMILESCC1CCCCN1c1ccc(NC(=O)CCC(=O)O)cn1
InChIInChI=1S/C15H21N3O3/c1-11-4-2-3-9-18(11)13-6-5-12(10-16-13)17-14(19)7-8-15(20)21/h5-6,10-11H,2-4,7-9H2,1H3,(H,17,19)(H,20,21)
InChIKeyHGINRUHCJIJWHY-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

[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]carbamic acid
CID 170319554
4-[[5-(2-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 82034796
4-[[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 82034786
phenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate
CID 169322862
1-[6-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]-3-propan-2-ylthiourea
CID 125047318
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266
3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781
1-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]-3-[(1-phenylcyclohexyl)methyl]thiourea
CID 133149918
N-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113015544
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide
CID 155391840
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide
CID 155391842
[6-[(2S)-2-methylpiperidin-1-yl]-3-pyridinyl] carbamate
CID 174191038

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2-methylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[6-(2-methylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid (CID 82034790) is 4-[[6-(2-methylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[6-(2-methylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[6-(2-methylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid is CC1CCCCN1c1ccc(NC(=O)CCC(=O)O)cn1.
What is the InChIKey of 4-[[6-(2-methylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid?
The InChIKey is HGINRUHCJIJWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-4-2-3-9-18(11)13-6-5-12(10-16-13)17-14(19)7-8-15(20)21/h5-6,10-11H,2-4,7-9H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 4-[[6-(2-methylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid?
4-[[6-(2-methylpiperidin-1-yl)-3-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-[[6-(2-methylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 82034790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).