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

C15H21N3O3 — CID 39187652

IUPAC4-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid
SMILESCC1CCN(c2ccc(NC(=O)CCC(=O)O)nc2)CC1
InChIInChI=1S/C15H21N3O3/c1-11-6-8-18(9-7-11)12-2-3-13(16-10-12)17-14(19)4-5-15(20)21/h2-3,10-11H,4-9H2,1H3,(H,20,21)(H,16,17,19)
InChIKeyVWEIQZHBNXMKMN-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.12
Rot. Bonds5

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

4-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid (PubChem CID 39187652) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid
PubChem CID39187652
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid
SMILESCC1CCN(c2ccc(NC(=O)CCC(=O)O)nc2)CC1
InChIInChI=1S/C15H21N3O3/c1-11-6-8-18(9-7-11)12-2-3-13(16-10-12)17-14(19)4-5-15(20)21/h2-3,10-11H,4-9H2,1H3,(H,20,21)(H,16,17,19)
InChIKeyVWEIQZHBNXMKMN-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-amino-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]butanamide
CID 82034911
2-amino-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
CID 39180437
2-(4-bromophenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
CID 113024871
4-[[5-(2-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 82034796
1-[6-(3-aminopropanoylamino)-3-pyridinyl]piperidine-4-carboxylic acid
CID 39187771
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113024875
2-(3,4-dimethoxyphenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
CID 113024851
3,4-dichloro-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzamide
CID 113024830
N-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]pentanamide
CID 113030633
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]propanamide
CID 113030760
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]methanesulfonamide
CID 113024878
3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide
CID 25469896

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid (CID 39187652) is 4-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid is CC1CCN(c2ccc(NC(=O)CCC(=O)O)nc2)CC1.
What is the InChIKey of 4-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid?
The InChIKey is VWEIQZHBNXMKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-6-8-18(9-7-11)12-2-3-13(16-10-12)17-14(19)4-5-15(20)21/h2-3,10-11H,4-9H2,1H3,(H,20,21)(H,16,17,19).
What are the key properties of 4-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid?
4-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid has a molecular weight of 291.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 39187652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).