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

C13H22N4O2 — CID 24649063

IUPACN-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2nc(C(C)C)no2)CC1
InChIInChI=1S/C13H22N4O2/c1-9(2)12-15-11(19-16-12)8-17-6-4-10(5-7-17)13(18)14-3/h9-10H,4-8H2,1-3H3,(H,14,18)
InChIKeyQVUQZEBFNQSSSN-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.15
Rot. Bonds4

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

N-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 24649063) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID24649063
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2nc(C(C)C)no2)CC1
InChIInChI=1S/C13H22N4O2/c1-9(2)12-15-11(19-16-12)8-17-6-4-10(5-7-17)13(18)14-3/h9-10H,4-8H2,1-3H3,(H,14,18)
InChIKeyQVUQZEBFNQSSSN-UHFFFAOYSA-N
XLogP1.15
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 163357665
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60719354
(4-methylphenyl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
CID 51087755
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43556709
3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanoic acid
CID 62215670
(4,4-difluoropiperidin-1-yl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanone
CID 166600665
5-[[4-(difluoromethyl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 166603058
(3S)-N-cyclopropyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95503021
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542228
(3S)-N-[(2S)-pentan-2-yl]-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 94378643
[(3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 129367833
N-methyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 24595481

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 24649063) is N-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is CNC(=O)C1CCN(Cc2nc(C(C)C)no2)CC1.
What is the InChIKey of N-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is QVUQZEBFNQSSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)12-15-11(19-16-12)8-17-6-4-10(5-7-17)13(18)14-3/h9-10H,4-8H2,1-3H3,(H,14,18).
What are the key properties of N-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
N-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 24649063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).