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

C21H34N4O3 — CID 46330397

IUPAC2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1cc(C)c(C(=O)N2CCC(CC(=O)NCCCN3CCOCC3)CC2)[nH]1
InChIInChI=1S/C21H34N4O3/c1-16-14-17(2)23-20(16)21(27)25-8-4-18(5-9-25)15-19(26)22-6-3-7-24-10-12-28-13-11-24/h14,18,23H,3-13,15H2,1-2H3,(H,22,26)
InChIKeyYAHJAMDVDWXJIU-UHFFFAOYSA-N
MW390.53 g/mol
LogP1.71
Rot. Bonds7

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

2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 46330397) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID46330397
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC Name2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1cc(C)c(C(=O)N2CCC(CC(=O)NCCCN3CCOCC3)CC2)[nH]1
InChIInChI=1S/C21H34N4O3/c1-16-14-17(2)23-20(16)21(27)25-8-4-18(5-9-25)15-19(26)22-6-3-7-24-10-12-28-13-11-24/h14,18,23H,3-13,15H2,1-2H3,(H,22,26)
InChIKeyYAHJAMDVDWXJIU-UHFFFAOYSA-N
XLogP1.71
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 46330397) is 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide is Cc1cc(C)c(C(=O)N2CCC(CC(=O)NCCCN3CCOCC3)CC2)[nH]1.
What is the InChIKey of 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is YAHJAMDVDWXJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3/c1-16-14-17(2)23-20(16)21(27)25-8-4-18(5-9-25)15-19(26)22-6-3-7-24-10-12-28-13-11-24/h14,18,23H,3-13,15H2,1-2H3,(H,22,26).
What are the key properties of 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 390.53 g/mol, XLogP of 1.71, 7 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-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 46330397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).