N-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-ethylbutanamide

C25H38N4O2 — CID 46956872

IUPACN-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1CCCc2nc(C3CCN(C(=O)C4CCCC4)CC3)ncc21
InChIInChI=1S/C25H38N4O2/c1-3-17(4-2)24(30)28-22-11-7-10-21-20(22)16-26-23(27-21)18-12-14-29(15-13-18)25(31)19-8-5-6-9-19/h16-19,22H,3-15H2,1-2H3,(H,28,30)
InChIKeyLXAHQYFLTQPBKL-UHFFFAOYSA-N
MW426.61 g/mol
LogP4.30
Rot. Bonds6

About N-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-ethylbutanamide

N-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-ethylbutanamide (PubChem CID 46956872) has the molecular formula C25H38N4O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is N-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-ethylbutanamide
PubChem CID46956872
Molecular FormulaC25H38N4O2
Molecular Weight426.61 g/mol
Exact Mass426.30
IUPAC NameN-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1CCCc2nc(C3CCN(C(=O)C4CCCC4)CC3)ncc21
InChIInChI=1S/C25H38N4O2/c1-3-17(4-2)24(30)28-22-11-7-10-21-20(22)16-26-23(27-21)18-12-14-29(15-13-18)25(31)19-8-5-6-9-19/h16-19,22H,3-15H2,1-2H3,(H,28,30)
InChIKeyLXAHQYFLTQPBKL-UHFFFAOYSA-N
XLogP4.30
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-ethylbutanamide?
The IUPAC name of N-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-ethylbutanamide (CID 46956872) is N-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-ethylbutanamide?
The canonical SMILES for N-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-ethylbutanamide is CCC(CC)C(=O)NC1CCCc2nc(C3CCN(C(=O)C4CCCC4)CC3)ncc21.
What is the InChIKey of N-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-ethylbutanamide?
The InChIKey is LXAHQYFLTQPBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O2/c1-3-17(4-2)24(30)28-22-11-7-10-21-20(22)16-26-23(27-21)18-12-14-29(15-13-18)25(31)19-8-5-6-9-19/h16-19,22H,3-15H2,1-2H3,(H,28,30).
What are the key properties of N-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-ethylbutanamide?
N-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-ethylbutanamide has a molecular weight of 426.61 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-ethylbutanamide is sourced from PubChem (CID 46956872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).