[3-(aminomethyl)cyclobutyl]-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]methanone

C22H26N6O — CID 170778313

IUPAC[3-(aminomethyl)cyclobutyl]-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESNCC1CC(C(=O)N2CCC(n3cc(-c4cnc5ccccc5n4)cn3)CC2)C1
InChIInChI=1S/C22H26N6O/c23-11-15-9-16(10-15)22(29)27-7-5-18(6-8-27)28-14-17(12-25-28)21-13-24-19-3-1-2-4-20(19)26-21/h1-4,12-16,18H,5-11,23H2
InChIKeyJMPRFRKKTYOBLH-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.64
Rot. Bonds4

About [3-(aminomethyl)cyclobutyl]-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]methanone

[3-(aminomethyl)cyclobutyl]-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]methanone (PubChem CID 170778313) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is [3-(aminomethyl)cyclobutyl]-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)cyclobutyl]-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]methanone
PubChem CID170778313
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name[3-(aminomethyl)cyclobutyl]-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESNCC1CC(C(=O)N2CCC(n3cc(-c4cnc5ccccc5n4)cn3)CC2)C1
InChIInChI=1S/C22H26N6O/c23-11-15-9-16(10-15)22(29)27-7-5-18(6-8-27)28-14-17(12-25-28)21-13-24-19-3-1-2-4-20(19)26-21/h1-4,12-16,18H,5-11,23H2
InChIKeyJMPRFRKKTYOBLH-UHFFFAOYSA-N
XLogP2.64
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(aminomethyl)cyclobutyl]-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-oxo-5-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]pentanamide
CID 175951072
3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]cyclopentan-1-amine
CID 170778255
2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]ethanol
CID 169092645
3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]aniline
CID 166992967
[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclohexyl] carbamate
CID 175468049
2-[1-(3-but-3-ynylcyclobutyl)pyrazol-4-yl]quinoxaline
CID 169092637
2-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]quinoxaline
CID 170778013
2-[1-[(2R,6S)-2,6-dimethylpiperidin-4-yl]pyrazol-4-yl]quinoxaline
CID 170778330
tert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate
CID 169092427
[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methanamine
CID 166993892
2-(2-hydroxy-6-oxopiperidin-3-yl)-5-[[5-oxo-5-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]pentyl]amino]isoindole-1,3-dione
CID 166995042
tert-butyl-dimethyl-[[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]methoxy]silane
CID 169092397

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)cyclobutyl]-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-(aminomethyl)cyclobutyl]-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]methanone (CID 170778313) is [3-(aminomethyl)cyclobutyl]-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(aminomethyl)cyclobutyl]-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(aminomethyl)cyclobutyl]-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]methanone is NCC1CC(C(=O)N2CCC(n3cc(-c4cnc5ccccc5n4)cn3)CC2)C1.
What is the InChIKey of [3-(aminomethyl)cyclobutyl]-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is JMPRFRKKTYOBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c23-11-15-9-16(10-15)22(29)27-7-5-18(6-8-27)28-14-17(12-25-28)21-13-24-19-3-1-2-4-20(19)26-21/h1-4,12-16,18H,5-11,23H2.
What are the key properties of [3-(aminomethyl)cyclobutyl]-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]methanone?
[3-(aminomethyl)cyclobutyl]-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 390.49 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)cyclobutyl]-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 170778313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).