N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide

C23H32N4O2 — CID 6624998

IUPACN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCc1ccc2c(c1)-c1c(cnn1CC(=O)NCCCN1C(C)CCCC1C)CO2
InChIInChI=1S/C23H32N4O2/c1-16-8-9-21-20(12-16)23-19(15-29-21)13-25-27(23)14-22(28)24-10-5-11-26-17(2)6-4-7-18(26)3/h8-9,12-13,17-18H,4-7,10-11,14-15H2,1-3H3,(H,24,28)
InChIKeyKYZKSWUSNJABRZ-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.52
Rot. Bonds6

About N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide

N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 6624998) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID6624998
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCc1ccc2c(c1)-c1c(cnn1CC(=O)NCCCN1C(C)CCCC1C)CO2
InChIInChI=1S/C23H32N4O2/c1-16-8-9-21-20(12-16)23-19(15-29-21)13-25-27(23)14-22(28)24-10-5-11-26-17(2)6-4-7-18(26)3/h8-9,12-13,17-18H,4-7,10-11,14-15H2,1-3H3,(H,24,28)
InChIKeyKYZKSWUSNJABRZ-UHFFFAOYSA-N
XLogP3.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide (CID 6624998) is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide is Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCCN1C(C)CCCC1C)CO2.
What is the InChIKey of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is KYZKSWUSNJABRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-16-8-9-21-20(12-16)23-19(15-29-21)13-25-27(23)14-22(28)24-10-5-11-26-17(2)6-4-7-18(26)3/h8-9,12-13,17-18H,4-7,10-11,14-15H2,1-3H3,(H,24,28).
What are the key properties of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 396.54 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 6624998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).