3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]cyclopentan-1-amine

C21H26N6 — CID 170778255

IUPAC3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]cyclopentan-1-amine
SMILESNC1CCC(N2CCC(n3cc(-c4cnc5ccccc5n4)cn3)CC2)C1
InChIInChI=1S/C21H26N6/c22-16-5-6-18(11-16)26-9-7-17(8-10-26)27-14-15(12-24-27)21-13-23-19-3-1-2-4-20(19)25-21/h1-4,12-14,16-18H,5-11,22H2
InChIKeyOZDJBGHSJZGPFX-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.01
Rot. Bonds3

About 3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]cyclopentan-1-amine

3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]cyclopentan-1-amine (PubChem CID 170778255) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]cyclopentan-1-amine
PubChem CID170778255
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]cyclopentan-1-amine
SMILESNC1CCC(N2CCC(n3cc(-c4cnc5ccccc5n4)cn3)CC2)C1
InChIInChI=1S/C21H26N6/c22-16-5-6-18(11-16)26-9-7-17(8-10-26)27-14-15(12-24-27)21-13-23-19-3-1-2-4-20(19)25-21/h1-4,12-14,16-18H,5-11,22H2
InChIKeyOZDJBGHSJZGPFX-UHFFFAOYSA-N
XLogP3.01
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]cyclopentan-1-amine?
The IUPAC name of 3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]cyclopentan-1-amine (CID 170778255) is 3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]cyclopentan-1-amine.
What is the SMILES notation for 3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]cyclopentan-1-amine?
The canonical SMILES for 3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]cyclopentan-1-amine is NC1CCC(N2CCC(n3cc(-c4cnc5ccccc5n4)cn3)CC2)C1.
What is the InChIKey of 3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]cyclopentan-1-amine?
The InChIKey is OZDJBGHSJZGPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c22-16-5-6-18(11-16)26-9-7-17(8-10-26)27-14-15(12-24-27)21-13-23-19-3-1-2-4-20(19)25-21/h1-4,12-14,16-18H,5-11,22H2.
What are the key properties of 3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]cyclopentan-1-amine?
3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]cyclopentan-1-amine has a molecular weight of 362.48 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]cyclopentan-1-amine is sourced from PubChem (CID 170778255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).