(2R)-N-(4-imidazol-1-ylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C18H20N6O2 — CID 125162807

IUPAC(2R)-N-(4-imidazol-1-ylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1noc([C@H]2CCCCN2C(=O)Nc2ccc(-n3ccnc3)cc2)n1
InChIInChI=1S/C18H20N6O2/c1-13-20-17(26-22-13)16-4-2-3-10-24(16)18(25)21-14-5-7-15(8-6-14)23-11-9-19-12-23/h5-9,11-12,16H,2-4,10H2,1H3,(H,21,25)/t16-/m1/s1
InChIKeyPTVOIQKAHNRAOO-MRXNPFEDSA-N
MW352.40 g/mol
LogP3.32
Rot. Bonds3

About (2R)-N-(4-imidazol-1-ylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

(2R)-N-(4-imidazol-1-ylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 125162807) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is (2R)-N-(4-imidazol-1-ylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-imidazol-1-ylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID125162807
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name(2R)-N-(4-imidazol-1-ylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1noc([C@H]2CCCCN2C(=O)Nc2ccc(-n3ccnc3)cc2)n1
InChIInChI=1S/C18H20N6O2/c1-13-20-17(26-22-13)16-4-2-3-10-24(16)18(25)21-14-5-7-15(8-6-14)23-11-9-19-12-23/h5-9,11-12,16H,2-4,10H2,1H3,(H,21,25)/t16-/m1/s1
InChIKeyPTVOIQKAHNRAOO-MRXNPFEDSA-N
XLogP3.32
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylsulfanylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 118785815
(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide
CID 97270391
N-(4-bromophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 4018213
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 90564014
N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide
CID 110196408
N-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 118795948
furan-3-yl-[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95110697
(2S)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 126425990
(2S)-N-(furan-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 95186545
N-(3-chloro-4-methylphenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760816
(2S)-N-(4-cyanophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7411418
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
CID 7288844

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-imidazol-1-ylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-(4-imidazol-1-ylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 125162807) is (2R)-N-(4-imidazol-1-ylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(4-imidazol-1-ylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-(4-imidazol-1-ylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is Cc1noc([C@H]2CCCCN2C(=O)Nc2ccc(-n3ccnc3)cc2)n1.
What is the InChIKey of (2R)-N-(4-imidazol-1-ylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is PTVOIQKAHNRAOO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-13-20-17(26-22-13)16-4-2-3-10-24(16)18(25)21-14-5-7-15(8-6-14)23-11-9-19-12-23/h5-9,11-12,16H,2-4,10H2,1H3,(H,21,25)/t16-/m1/s1.
What are the key properties of (2R)-N-(4-imidazol-1-ylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
(2R)-N-(4-imidazol-1-ylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-imidazol-1-ylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 125162807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).