N-(1-acetylpiperidin-4-yl)-N-butyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide

C24H32N4O3 — CID 20882222

IUPACN-(1-acetylpiperidin-4-yl)-N-butyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCCCCN(C(=O)Cn1ncc2c1-c1cc(C)ccc1OC2)C1CCN(C(C)=O)CC1
InChIInChI=1S/C24H32N4O3/c1-4-5-10-27(20-8-11-26(12-9-20)18(3)29)23(30)15-28-24-19(14-25-28)16-31-22-7-6-17(2)13-21(22)24/h6-7,13-14,20H,4-5,8-12,15-16H2,1-3H3
InChIKeyNJAGHIDXXKSXEF-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.39
Rot. Bonds6

About N-(1-acetylpiperidin-4-yl)-N-butyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide

N-(1-acetylpiperidin-4-yl)-N-butyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 20882222) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-N-butyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-N-butyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID20882222
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-(1-acetylpiperidin-4-yl)-N-butyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCCCCN(C(=O)Cn1ncc2c1-c1cc(C)ccc1OC2)C1CCN(C(C)=O)CC1
InChIInChI=1S/C24H32N4O3/c1-4-5-10-27(20-8-11-26(12-9-20)18(3)29)23(30)15-28-24-19(14-25-28)16-31-22-7-6-17(2)13-21(22)24/h6-7,13-14,20H,4-5,8-12,15-16H2,1-3H3
InChIKeyNJAGHIDXXKSXEF-UHFFFAOYSA-N
XLogP3.39
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-N-butyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-N-butyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide (CID 20882222) is N-(1-acetylpiperidin-4-yl)-N-butyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-N-butyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-N-butyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide is CCCCN(C(=O)Cn1ncc2c1-c1cc(C)ccc1OC2)C1CCN(C(C)=O)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-N-butyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is NJAGHIDXXKSXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-4-5-10-27(20-8-11-26(12-9-20)18(3)29)23(30)15-28-24-19(14-25-28)16-31-22-7-6-17(2)13-21(22)24/h6-7,13-14,20H,4-5,8-12,15-16H2,1-3H3.
What are the key properties of N-(1-acetylpiperidin-4-yl)-N-butyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
N-(1-acetylpiperidin-4-yl)-N-butyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 424.55 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-N-butyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 20882222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).