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

C18H28N6O2 — CID 136520308

IUPACN-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCCCCn1cc(CNC(=O)N2CCC(c3nc(C)no3)CC2)c(C)n1
InChIInChI=1S/C18H28N6O2/c1-4-5-8-24-12-16(13(2)21-24)11-19-18(25)23-9-6-15(7-10-23)17-20-14(3)22-26-17/h12,15H,4-11H2,1-3H3,(H,19,25)
InChIKeyCQUNSVKXKUGTFB-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.77
Rot. Bonds6

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

N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 136520308) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID136520308
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC NameN-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCCCCn1cc(CNC(=O)N2CCC(c3nc(C)no3)CC2)c(C)n1
InChIInChI=1S/C18H28N6O2/c1-4-5-8-24-12-16(13(2)21-24)11-19-18(25)23-9-6-15(7-10-23)17-20-14(3)22-26-17/h12,15H,4-11H2,1-3H3,(H,19,25)
InChIKeyCQUNSVKXKUGTFB-UHFFFAOYSA-N
XLogP2.77
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 136520308) is N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is CCCCn1cc(CNC(=O)N2CCC(c3nc(C)no3)CC2)c(C)n1.
What is the InChIKey of N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is CQUNSVKXKUGTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-4-5-8-24-12-16(13(2)21-24)11-19-18(25)23-9-6-15(7-10-23)17-20-14(3)22-26-17/h12,15H,4-11H2,1-3H3,(H,19,25).
What are the key properties of N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 136520308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).