4-[[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid

C16H23N3O3 — CID 82034786

IUPAC4-[[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid
SMILESCC1CC(C)CN(c2ccc(NC(=O)CCC(=O)O)cn2)C1
InChIInChI=1S/C16H23N3O3/c1-11-7-12(2)10-19(9-11)14-4-3-13(8-17-14)18-15(20)5-6-16(21)22/h3-4,8,11-12H,5-7,9-10H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyBZSKBVBTDPWTEA-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.37
Rot. Bonds5

About 4-[[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid

4-[[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid (PubChem CID 82034786) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid
PubChem CID82034786
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name4-[[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid
SMILESCC1CC(C)CN(c2ccc(NC(=O)CCC(=O)O)cn2)C1
InChIInChI=1S/C16H23N3O3/c1-11-7-12(2)10-19(9-11)14-4-3-13(8-17-14)18-15(20)5-6-16(21)22/h3-4,8,11-12H,5-7,9-10H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyBZSKBVBTDPWTEA-UHFFFAOYSA-N
XLogP2.37
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266
4-[[6-(2-methylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 82034790
3-amino-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]propanamide
CID 39181563
N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(4-fluorophenyl)butanediamide
CID 22427809
1-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]-3-propan-2-ylthiourea
CID 133219875
2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 82034957
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-2-ylpropanamide
CID 51958831
2-amino-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 39181827
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-methoxyphenyl)butanediamide
CID 22427815
[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61257054
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]acetamide
CID 98764784

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid (CID 82034786) is 4-[[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid is CC1CC(C)CN(c2ccc(NC(=O)CCC(=O)O)cn2)C1.
What is the InChIKey of 4-[[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid?
The InChIKey is BZSKBVBTDPWTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-7-12(2)10-19(9-11)14-4-3-13(8-17-14)18-15(20)5-6-16(21)22/h3-4,8,11-12H,5-7,9-10H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 4-[[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid?
4-[[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid has a molecular weight of 305.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 82034786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).