N-[1-(2,4-difluorophenyl)-2-oxopiperidin-3-yl]-1,4,5-oxadiazepane-4-carboxamide

C16H20F2N4O3 — CID 155958205

IUPACN-[1-(2,4-difluorophenyl)-2-oxopiperidin-3-yl]-1,4,5-oxadiazepane-4-carboxamide
SMILESO=C(NC1CCCN(c2ccc(F)cc2F)C1=O)N1CCOCCN1
InChIInChI=1S/C16H20F2N4O3/c17-11-3-4-14(12(18)10-11)21-6-1-2-13(15(21)23)20-16(24)22-7-9-25-8-5-19-22/h3-4,10,13,19H,1-2,5-9H2,(H,20,24)
InChIKeyMZUDFYUTTCPAFH-UHFFFAOYSA-N
MW354.36 g/mol
LogP1.01
Rot. Bonds2

About N-[1-(2,4-difluorophenyl)-2-oxopiperidin-3-yl]-1,4,5-oxadiazepane-4-carboxamide

N-[1-(2,4-difluorophenyl)-2-oxopiperidin-3-yl]-1,4,5-oxadiazepane-4-carboxamide (PubChem CID 155958205) has the molecular formula C16H20F2N4O3 and a molecular weight of 354.36 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)-2-oxopiperidin-3-yl]-1,4,5-oxadiazepane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)-2-oxopiperidin-3-yl]-1,4,5-oxadiazepane-4-carboxamide
PubChem CID155958205
Molecular FormulaC16H20F2N4O3
Molecular Weight354.36 g/mol
Exact Mass354.15
IUPAC NameN-[1-(2,4-difluorophenyl)-2-oxopiperidin-3-yl]-1,4,5-oxadiazepane-4-carboxamide
SMILESO=C(NC1CCCN(c2ccc(F)cc2F)C1=O)N1CCOCCN1
InChIInChI=1S/C16H20F2N4O3/c17-11-3-4-14(12(18)10-11)21-6-1-2-13(15(21)23)20-16(24)22-7-9-25-8-5-19-22/h3-4,10,13,19H,1-2,5-9H2,(H,20,24)
InChIKeyMZUDFYUTTCPAFH-UHFFFAOYSA-N
XLogP1.01
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)-2-oxopiperidin-3-yl]-1,4,5-oxadiazepane-4-carboxamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)-2-oxopiperidin-3-yl]-1,4,5-oxadiazepane-4-carboxamide (CID 155958205) is N-[1-(2,4-difluorophenyl)-2-oxopiperidin-3-yl]-1,4,5-oxadiazepane-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)-2-oxopiperidin-3-yl]-1,4,5-oxadiazepane-4-carboxamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)-2-oxopiperidin-3-yl]-1,4,5-oxadiazepane-4-carboxamide is O=C(NC1CCCN(c2ccc(F)cc2F)C1=O)N1CCOCCN1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)-2-oxopiperidin-3-yl]-1,4,5-oxadiazepane-4-carboxamide?
The InChIKey is MZUDFYUTTCPAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O3/c17-11-3-4-14(12(18)10-11)21-6-1-2-13(15(21)23)20-16(24)22-7-9-25-8-5-19-22/h3-4,10,13,19H,1-2,5-9H2,(H,20,24).
What are the key properties of N-[1-(2,4-difluorophenyl)-2-oxopiperidin-3-yl]-1,4,5-oxadiazepane-4-carboxamide?
N-[1-(2,4-difluorophenyl)-2-oxopiperidin-3-yl]-1,4,5-oxadiazepane-4-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)-2-oxopiperidin-3-yl]-1,4,5-oxadiazepane-4-carboxamide is sourced from PubChem (CID 155958205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).