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

C18H20F2N4O2 — CID 164636201

IUPAC(3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3,4-difluorophenyl)piperidine-1-carboxamide
SMILESO=C(NCc1noc(C2CC2)n1)N1CCC[C@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H20F2N4O2/c19-14-6-5-12(8-15(14)20)13-2-1-7-24(10-13)18(25)21-9-16-22-17(26-23-16)11-3-4-11/h5-6,8,11,13H,1-4,7,9-10H2,(H,21,25)/t13-/m0/s1
InChIKeyLPIYQYYMGLSTPT-ZDUSSCGKSA-N
MW362.38 g/mol
LogP3.31
Rot. Bonds4

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

(3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3,4-difluorophenyl)piperidine-1-carboxamide (PubChem CID 164636201) has the molecular formula C18H20F2N4O2 and a molecular weight of 362.38 g/mol. Its IUPAC name is (3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3,4-difluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3,4-difluorophenyl)piperidine-1-carboxamide
PubChem CID164636201
Molecular FormulaC18H20F2N4O2
Molecular Weight362.38 g/mol
Exact Mass362.16
IUPAC Name(3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3,4-difluorophenyl)piperidine-1-carboxamide
SMILESO=C(NCc1noc(C2CC2)n1)N1CCC[C@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H20F2N4O2/c19-14-6-5-12(8-15(14)20)13-2-1-7-24(10-13)18(25)21-9-16-22-17(26-23-16)11-3-4-11/h5-6,8,11,13H,1-4,7,9-10H2,(H,21,25)/t13-/m0/s1
InChIKeyLPIYQYYMGLSTPT-ZDUSSCGKSA-N
XLogP3.31
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide
CID 122568554
(2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-fluorophenyl)piperidine-1-carboxamide
CID 125447060
N-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 146122455
N-benzyl-3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 91925427
3-(3,4-difluorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxamide
CID 136554718
(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 125438766
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 52530117
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridine-3-carboxamide
CID 131918823
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide
CID 72899381
1-[(3R)-3-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 100688666
(3S)-N-[(4-cyanophenyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 94801015
N-[[dimethyl(phenyl)silyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 119038571

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3,4-difluorophenyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3,4-difluorophenyl)piperidine-1-carboxamide (CID 164636201) is (3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3,4-difluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3,4-difluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3,4-difluorophenyl)piperidine-1-carboxamide is O=C(NCc1noc(C2CC2)n1)N1CCC[C@H](c2ccc(F)c(F)c2)C1.
What is the InChIKey of (3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3,4-difluorophenyl)piperidine-1-carboxamide?
The InChIKey is LPIYQYYMGLSTPT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20F2N4O2/c19-14-6-5-12(8-15(14)20)13-2-1-7-24(10-13)18(25)21-9-16-22-17(26-23-16)11-3-4-11/h5-6,8,11,13H,1-4,7,9-10H2,(H,21,25)/t13-/m0/s1.
What are the key properties of (3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3,4-difluorophenyl)piperidine-1-carboxamide?
(3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3,4-difluorophenyl)piperidine-1-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3,4-difluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 164636201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).