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

C16H24N6O2 — CID 86784463

IUPACN-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESCC(C)c1noc(CCNC(=O)N2CCCCC2c2cn[nH]c2)n1
InChIInChI=1S/C16H24N6O2/c1-11(2)15-20-14(24-21-15)6-7-17-16(23)22-8-4-3-5-13(22)12-9-18-19-10-12/h9-11,13H,3-8H2,1-2H3,(H,17,23)(H,18,19)
InChIKeyBSIUXXOLBRETBK-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.40
Rot. Bonds5

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

N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 86784463) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
PubChem CID86784463
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC NameN-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESCC(C)c1noc(CCNC(=O)N2CCCCC2c2cn[nH]c2)n1
InChIInChI=1S/C16H24N6O2/c1-11(2)15-20-14(24-21-15)6-7-17-16(23)22-8-4-3-5-13(22)12-9-18-19-10-12/h9-11,13H,3-8H2,1-2H3,(H,17,23)(H,18,19)
InChIKeyBSIUXXOLBRETBK-UHFFFAOYSA-N
XLogP2.40
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75499708
1-cyclopentyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 72879168
N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 84597437
(2R)-N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 98573367
3-hydroxy-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
CID 110911744
4-amino-3-methoxy-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120597000
(2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide
CID 124721747
4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
CID 52826047
(2R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 98573372
N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 86784707
N-(1,3-benzothiazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 84597428
(2R)-N-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 99852891

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (CID 86784463) is N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is CC(C)c1noc(CCNC(=O)N2CCCCC2c2cn[nH]c2)n1.
What is the InChIKey of N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is BSIUXXOLBRETBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-11(2)15-20-14(24-21-15)6-7-17-16(23)22-8-4-3-5-13(22)12-9-18-19-10-12/h9-11,13H,3-8H2,1-2H3,(H,17,23)(H,18,19).
What are the key properties of N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 86784463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).