2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide

C20H32N4O3 — CID 46330415

IUPAC2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cc(C)c(C(=O)N2CCC(CC(=O)NCCN3CCOCC3)CC2)[nH]1
InChIInChI=1S/C20H32N4O3/c1-15-13-16(2)22-19(15)20(26)24-6-3-17(4-7-24)14-18(25)21-5-8-23-9-11-27-12-10-23/h13,17,22H,3-12,14H2,1-2H3,(H,21,25)
InChIKeyMYLFFHRKTIIXIV-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.32
Rot. Bonds6

About 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide

2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 46330415) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID46330415
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cc(C)c(C(=O)N2CCC(CC(=O)NCCN3CCOCC3)CC2)[nH]1
InChIInChI=1S/C20H32N4O3/c1-15-13-16(2)22-19(15)20(26)24-6-3-17(4-7-24)14-18(25)21-5-8-23-9-11-27-12-10-23/h13,17,22H,3-12,14H2,1-2H3,(H,21,25)
InChIKeyMYLFFHRKTIIXIV-UHFFFAOYSA-N
XLogP1.32
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide (CID 46330415) is 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide is Cc1cc(C)c(C(=O)N2CCC(CC(=O)NCCN3CCOCC3)CC2)[nH]1.
What is the InChIKey of 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is MYLFFHRKTIIXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-15-13-16(2)22-19(15)20(26)24-6-3-17(4-7-24)14-18(25)21-5-8-23-9-11-27-12-10-23/h13,17,22H,3-12,14H2,1-2H3,(H,21,25).
What are the key properties of 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 376.50 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 46330415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).