5-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid

C22H30N4O4 — CID 110153961

IUPAC5-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCN(CC1(O)CCN(c2ccnc3ccncc23)CC1)C(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C22H30N4O4/c1-21(2,13-20(28)29)12-19(27)25(3)15-22(30)6-10-26(11-7-22)18-5-9-24-17-4-8-23-14-16(17)18/h4-5,8-9,14,30H,6-7,10-13,15H2,1-3H3,(H,28,29)
InChIKeyXYGWVYKQAAXSFG-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.31
Rot. Bonds7

About 5-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid

5-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 110153961) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 5-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID110153961
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name5-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCN(CC1(O)CCN(c2ccnc3ccncc23)CC1)C(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C22H30N4O4/c1-21(2,13-20(28)29)12-19(27)25(3)15-22(30)6-10-26(11-7-22)18-5-9-24-17-4-8-23-14-16(17)18/h4-5,8-9,14,30H,6-7,10-13,15H2,1-3H3,(H,28,29)
InChIKeyXYGWVYKQAAXSFG-UHFFFAOYSA-N
XLogP2.31
TPSA106.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylcarbamoyl]phenoxy]acetic acid
CID 110153983
4-(aminomethyl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
CID 110153954
4-[[(3S)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid
CID 124972772
4-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid
CID 124972771
4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
CID 110153965
4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbutanamide
CID 110153899
4-amino-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbutanamide
CID 125020027
4-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobut-2-enoic acid
CID 171146929
N-[[(3S)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methyl-4-pyrrolidin-1-ylbutanamide
CID 124944586
4-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl-methylamino]-4-oxobutanoic acid
CID 124943896
5-[(3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 110154285
2-(1-acetamidocyclohexyl)-N-[[(3S)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylacetamide
CID 124987056

Frequently Asked Questions

What is the IUPAC name of 5-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid (CID 110153961) is 5-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid is CN(CC1(O)CCN(c2ccnc3ccncc23)CC1)C(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is XYGWVYKQAAXSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-21(2,13-20(28)29)12-19(27)25(3)15-22(30)6-10-26(11-7-22)18-5-9-24-17-4-8-23-14-16(17)18/h4-5,8-9,14,30H,6-7,10-13,15H2,1-3H3,(H,28,29).
What are the key properties of 5-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid?
5-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 414.51 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 110153961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).