4-[4-[[3-carbamoyl-6-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]piperidine-1-carboxylic acid

C23H30N6O4 — CID 146485007

IUPAC4-[4-[[3-carbamoyl-6-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]piperidine-1-carboxylic acid
SMILESNC(=O)c1ncc(N2CCC(CO)CC2)nc1Nc1ccc(C2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C23H30N6O4/c24-21(31)20-22(27-19(13-25-20)28-9-5-15(14-30)6-10-28)26-18-3-1-16(2-4-18)17-7-11-29(12-8-17)23(32)33/h1-4,13,15,17,30H,5-12,14H2,(H2,24,31)(H,26,27)(H,32,33)
InChIKeyMFUDJGKYIVVYRJ-UHFFFAOYSA-N
MW454.53 g/mol
LogP2.39
Rot. Bonds6

About 4-[4-[[3-carbamoyl-6-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]piperidine-1-carboxylic acid

4-[4-[[3-carbamoyl-6-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]piperidine-1-carboxylic acid (PubChem CID 146485007) has the molecular formula C23H30N6O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 4-[4-[[3-carbamoyl-6-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[[3-carbamoyl-6-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]piperidine-1-carboxylic acid
PubChem CID146485007
Molecular FormulaC23H30N6O4
Molecular Weight454.53 g/mol
Exact Mass454.23
IUPAC Name4-[4-[[3-carbamoyl-6-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]piperidine-1-carboxylic acid
SMILESNC(=O)c1ncc(N2CCC(CO)CC2)nc1Nc1ccc(C2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C23H30N6O4/c24-21(31)20-22(27-19(13-25-20)28-9-5-15(14-30)6-10-28)26-18-3-1-16(2-4-18)17-7-11-29(12-8-17)23(32)33/h1-4,13,15,17,30H,5-12,14H2,(H2,24,31)(H,26,27)(H,32,33)
InChIKeyMFUDJGKYIVVYRJ-UHFFFAOYSA-N
XLogP2.39
TPSA144.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[4-[[3-carbamoyl-6-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

3-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 129156525
3-[4-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 129156495
5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-(1-propanoylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 118114616
ethane;4-ethoxybenzamide;3-[4-(1-methylpiperidin-4-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 144857937
3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[3-(propanoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118115244
3-[4-(1-cyclopropylpiperidin-4-yl)anilino]-5-[(3R)-3-[(4-phenylphenyl)carbamoyl]piperidin-1-yl]pyrazine-2-carboxamide
CID 140731353
3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(3R)-3-(dimethylsulfamoylmethyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 159998183
3-[4-(1-cyclobutylpiperidin-4-yl)anilino]-5-[(3R)-3-(3-cyclopropyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114448
5-[(3R)-3-aminopiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 157187349
5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 123635494
3-(4-cyclohexylanilino)-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118115170
5-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]-3-[4-(1-cyclopropylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 129156598

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[3-carbamoyl-6-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-[[3-carbamoyl-6-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]piperidine-1-carboxylic acid (CID 146485007) is 4-[4-[[3-carbamoyl-6-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-[[3-carbamoyl-6-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-[[3-carbamoyl-6-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]piperidine-1-carboxylic acid is NC(=O)c1ncc(N2CCC(CO)CC2)nc1Nc1ccc(C2CCN(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[4-[[3-carbamoyl-6-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]piperidine-1-carboxylic acid?
The InChIKey is MFUDJGKYIVVYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O4/c24-21(31)20-22(27-19(13-25-20)28-9-5-15(14-30)6-10-28)26-18-3-1-16(2-4-18)17-7-11-29(12-8-17)23(32)33/h1-4,13,15,17,30H,5-12,14H2,(H2,24,31)(H,26,27)(H,32,33).
What are the key properties of 4-[4-[[3-carbamoyl-6-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]piperidine-1-carboxylic acid?
4-[4-[[3-carbamoyl-6-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]piperidine-1-carboxylic acid has a molecular weight of 454.53 g/mol, XLogP of 2.39, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[3-carbamoyl-6-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 146485007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).