N,4-dimethyl-N-[(1S,2R)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]-1,2,5-oxadiazole-3-carboxamide

C18H31N5O2 — CID 97242942

IUPACN,4-dimethyl-N-[(1S,2R)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N(C)[C@H]1CCCC[C@H]1N(C)C1CCN(C)CC1
InChIInChI=1S/C18H31N5O2/c1-13-17(20-25-19-13)18(24)23(4)16-8-6-5-7-15(16)22(3)14-9-11-21(2)12-10-14/h14-16H,5-12H2,1-4H3/t15-,16+/m1/s1
InChIKeyYPUVAFYNKBFEHC-CVEARBPZSA-N
MW349.48 g/mol
LogP1.79
Rot. Bonds4

About N,4-dimethyl-N-[(1S,2R)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]-1,2,5-oxadiazole-3-carboxamide

N,4-dimethyl-N-[(1S,2R)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 97242942) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N,4-dimethyl-N-[(1S,2R)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(1S,2R)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID97242942
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC NameN,4-dimethyl-N-[(1S,2R)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N(C)[C@H]1CCCC[C@H]1N(C)C1CCN(C)CC1
InChIInChI=1S/C18H31N5O2/c1-13-17(20-25-19-13)18(24)23(4)16-8-6-5-7-15(16)22(3)14-9-11-21(2)12-10-14/h14-16H,5-12H2,1-4H3/t15-,16+/m1/s1
InChIKeyYPUVAFYNKBFEHC-CVEARBPZSA-N
XLogP1.79
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(1S,2R)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N,4-dimethyl-N-[(1S,2R)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]-1,2,5-oxadiazole-3-carboxamide (CID 97242942) is N,4-dimethyl-N-[(1S,2R)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[(1S,2R)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[(1S,2R)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N(C)[C@H]1CCCC[C@H]1N(C)C1CCN(C)CC1.
What is the InChIKey of N,4-dimethyl-N-[(1S,2R)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is YPUVAFYNKBFEHC-CVEARBPZSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-13-17(20-25-19-13)18(24)23(4)16-8-6-5-7-15(16)22(3)14-9-11-21(2)12-10-14/h14-16H,5-12H2,1-4H3/t15-,16+/m1/s1.
What are the key properties of N,4-dimethyl-N-[(1S,2R)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]-1,2,5-oxadiazole-3-carboxamide?
N,4-dimethyl-N-[(1S,2R)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(1S,2R)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 97242942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).