N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-4-imidazol-1-ylpiperidine-1-carboxamide

C19H21F2N5O2 — CID 139013069

IUPACN-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-4-imidazol-1-ylpiperidine-1-carboxamide
SMILESO=C(NC1CCN(c2c(F)cccc2F)C1=O)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C19H21F2N5O2/c20-14-2-1-3-15(21)17(14)26-10-6-16(18(26)27)23-19(28)24-8-4-13(5-9-24)25-11-7-22-12-25/h1-3,7,11-13,16H,4-6,8-10H2,(H,23,28)
InChIKeyNDEDFTTUWBMIPC-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.31
Rot. Bonds3

About N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-4-imidazol-1-ylpiperidine-1-carboxamide

N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-4-imidazol-1-ylpiperidine-1-carboxamide (PubChem CID 139013069) has the molecular formula C19H21F2N5O2 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-4-imidazol-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-4-imidazol-1-ylpiperidine-1-carboxamide
PubChem CID139013069
Molecular FormulaC19H21F2N5O2
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC NameN-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-4-imidazol-1-ylpiperidine-1-carboxamide
SMILESO=C(NC1CCN(c2c(F)cccc2F)C1=O)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C19H21F2N5O2/c20-14-2-1-3-15(21)17(14)26-10-6-16(18(26)27)23-19(28)24-8-4-13(5-9-24)25-11-7-22-12-25/h1-3,7,11-13,16H,4-6,8-10H2,(H,23,28)
InChIKeyNDEDFTTUWBMIPC-UHFFFAOYSA-N
XLogP2.31
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-4-imidazol-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-4-imidazol-1-ylpiperidine-1-carboxamide (CID 139013069) is N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-4-imidazol-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-4-imidazol-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-4-imidazol-1-ylpiperidine-1-carboxamide is O=C(NC1CCN(c2c(F)cccc2F)C1=O)N1CCC(n2ccnc2)CC1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-4-imidazol-1-ylpiperidine-1-carboxamide?
The InChIKey is NDEDFTTUWBMIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O2/c20-14-2-1-3-15(21)17(14)26-10-6-16(18(26)27)23-19(28)24-8-4-13(5-9-24)25-11-7-22-12-25/h1-3,7,11-13,16H,4-6,8-10H2,(H,23,28).
What are the key properties of N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-4-imidazol-1-ylpiperidine-1-carboxamide?
N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-4-imidazol-1-ylpiperidine-1-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-4-imidazol-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 139013069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).