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

C21H26FN3O2 — CID 46330427

IUPAC2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCc1cc(C)c(C(=O)N2CCC(CC(=O)NCc3ccccc3F)CC2)[nH]1
InChIInChI=1S/C21H26FN3O2/c1-14-11-15(2)24-20(14)21(27)25-9-7-16(8-10-25)12-19(26)23-13-17-5-3-4-6-18(17)22/h3-6,11,16,24H,7-10,12-13H2,1-2H3,(H,23,26)
InChIKeyHMBXXMPBZXPCTQ-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.33
Rot. Bonds5

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

2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 46330427) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID46330427
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCc1cc(C)c(C(=O)N2CCC(CC(=O)NCc3ccccc3F)CC2)[nH]1
InChIInChI=1S/C21H26FN3O2/c1-14-11-15(2)24-20(14)21(27)25-9-7-16(8-10-25)12-19(26)23-13-17-5-3-4-6-18(17)22/h3-6,11,16,24H,7-10,12-13H2,1-2H3,(H,23,26)
InChIKeyHMBXXMPBZXPCTQ-UHFFFAOYSA-N
XLogP3.33
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide (CID 46330427) is 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide is Cc1cc(C)c(C(=O)N2CCC(CC(=O)NCc3ccccc3F)CC2)[nH]1.
What is the InChIKey of 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is HMBXXMPBZXPCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-14-11-15(2)24-20(14)21(27)25-9-7-16(8-10-25)12-19(26)23-13-17-5-3-4-6-18(17)22/h3-6,11,16,24H,7-10,12-13H2,1-2H3,(H,23,26).
What are the key properties of 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide?
2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 371.46 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 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-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 46330427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).