2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]-1H-pyrrole-3-carboxamide

C18H20FN3O3 — CID 91910366

IUPAC2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]-1H-pyrrole-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC(c3[nH]ccc3C(N)=O)C2)cc1F
InChIInChI=1S/C18H20FN3O3/c1-25-15-5-4-11(9-14(15)19)18(24)22-8-2-3-12(10-22)16-13(17(20)23)6-7-21-16/h4-7,9,12,21H,2-3,8,10H2,1H3,(H2,20,23)
InChIKeyVOQBBYHOSWOZPN-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.28
Rot. Bonds4

About 2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]-1H-pyrrole-3-carboxamide

2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]-1H-pyrrole-3-carboxamide (PubChem CID 91910366) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]-1H-pyrrole-3-carboxamide
PubChem CID91910366
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]-1H-pyrrole-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC(c3[nH]ccc3C(N)=O)C2)cc1F
InChIInChI=1S/C18H20FN3O3/c1-25-15-5-4-11(9-14(15)19)18(24)22-8-2-3-12(10-22)16-13(17(20)23)6-7-21-16/h4-7,9,12,21H,2-3,8,10H2,1H3,(H2,20,23)
InChIKeyVOQBBYHOSWOZPN-UHFFFAOYSA-N
XLogP2.28
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ondelopran
CID 10457387
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
(3Z)-5-methoxy-3-({4-oxo-2H,4H,5H,6H,7H-pyrrolo[3,4-c]pyridin-1-yl}methylidene)-2,3-dihydro-1H-indol-2-one
CID 5331095
Pyrrolopyridine, 29
CID 16720207
VU0404251
CID 58368068
6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 59743926
9P7ZX5Bwv8
CID 9904911
3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 118498201
7-fluoro-3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 118498266
7-fluoro-3-[4-[4-(6-methoxypyridine-3-carbonyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 118507411
1-(5-methoxy-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
CID 1769607
4-acetyl-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489221

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]-1H-pyrrole-3-carboxamide (CID 91910366) is 2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]-1H-pyrrole-3-carboxamide is COc1ccc(C(=O)N2CCCC(c3[nH]ccc3C(N)=O)C2)cc1F.
What is the InChIKey of 2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]-1H-pyrrole-3-carboxamide?
The InChIKey is VOQBBYHOSWOZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-25-15-5-4-11(9-14(15)19)18(24)22-8-2-3-12(10-22)16-13(17(20)23)6-7-21-16/h4-7,9,12,21H,2-3,8,10H2,1H3,(H2,20,23).
What are the key properties of 2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]-1H-pyrrole-3-carboxamide?
2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 91910366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).