1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide

C19H22FN3O3 — CID 139002167

IUPAC1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C1CCN(C(=O)c2cc3cc(F)ccc3o2)CC1
InChIInChI=1S/C19H22FN3O3/c20-13-3-4-16-12(10-13)11-17(26-16)19(25)22-8-5-14(6-9-22)23-7-1-2-15(23)18(21)24/h3-4,10-11,14-15H,1-2,5-9H2,(H2,21,24)
InChIKeySEEPCMRCWCROJR-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.13
Rot. Bonds3

About 1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide

1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 139002167) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID139002167
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C1CCN(C(=O)c2cc3cc(F)ccc3o2)CC1
InChIInChI=1S/C19H22FN3O3/c20-13-3-4-16-12(10-13)11-17(26-16)19(25)22-8-5-14(6-9-22)23-7-1-2-15(23)18(21)24/h3-4,10-11,14-15H,1-2,5-9H2,(H2,21,24)
InChIKeySEEPCMRCWCROJR-UHFFFAOYSA-N
XLogP2.13
TPSA79.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 139011962
(5-fluoro-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 118763819
(5-fluoro-1-benzofuran-2-yl)-morpholin-4-ylmethanone
CID 129197806
(2S)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 94821970
(2R)-1-(5-bromo-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide
CID 95118501
1-[1-(4-ethylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 51101239
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 124700748
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 124702462
1-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133422015
1-[1-(2-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 51101219
1-[1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 86882605
(5-bromo-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 52877254

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide (CID 139002167) is 1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C1CCN(C(=O)c2cc3cc(F)ccc3o2)CC1.
What is the InChIKey of 1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is SEEPCMRCWCROJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c20-13-3-4-16-12(10-13)11-17(26-16)19(25)22-8-5-14(6-9-22)23-7-1-2-15(23)18(21)24/h3-4,10-11,14-15H,1-2,5-9H2,(H2,21,24).
What are the key properties of 1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 139002167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).