N-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C16H18F2N4O2 — CID 146122455

IUPACN-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1noc(C2CCN(C(=O)NCc3ccc(F)c(F)c3)CC2)n1
InChIInChI=1S/C16H18F2N4O2/c1-10-20-15(24-21-10)12-4-6-22(7-5-12)16(23)19-9-11-2-3-13(17)14(18)8-11/h2-3,8,12H,4-7,9H2,1H3,(H,19,23)
InChIKeyPOFFNJPDQGEEDJ-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.75
Rot. Bonds3

About N-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 146122455) has the molecular formula C16H18F2N4O2 and a molecular weight of 336.34 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID146122455
Molecular FormulaC16H18F2N4O2
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC NameN-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1noc(C2CCN(C(=O)NCc3ccc(F)c(F)c3)CC2)n1
InChIInChI=1S/C16H18F2N4O2/c1-10-20-15(24-21-10)12-4-6-22(7-5-12)16(23)19-9-11-2-3-13(17)14(18)8-11/h2-3,8,12H,4-7,9H2,1H3,(H,19,23)
InChIKeyPOFFNJPDQGEEDJ-UHFFFAOYSA-N
XLogP2.75
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 52530117
(3S)-N-[(4-cyanophenyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 94801015
N-[2-(4-fluorophenyl)cyclopropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 71935175
N-benzyl-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769544
(3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 164636201
N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 136520308
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 47296940
N-[(3-fluoro-4-methylphenyl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 30886381
3-(2,5-difluorophenyl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 129346179
1-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 46096475
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 155982970
1-N,4-N-bis[(3-fluoro-4-methylphenyl)methyl]-1,4-diazepane-1,4-dicarboxamide
CID 30886315

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 146122455) is N-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is Cc1noc(C2CCN(C(=O)NCc3ccc(F)c(F)c3)CC2)n1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is POFFNJPDQGEEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2/c1-10-20-15(24-21-10)12-4-6-22(7-5-12)16(23)19-9-11-2-3-13(17)14(18)8-11/h2-3,8,12H,4-7,9H2,1H3,(H,19,23).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 336.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 146122455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).