4-(5-cyclopropylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-1-carboxamide

C16H26N4O2 — CID 141163330

IUPAC4-(5-cyclopropylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-1-carboxamide
SMILESCC(C)(CO)NC(=O)N1CCC(n2nccc2C2CC2)CC1
InChIInChI=1S/C16H26N4O2/c1-16(2,11-21)18-15(22)19-9-6-13(7-10-19)20-14(5-8-17-20)12-3-4-12/h5,8,12-13,21H,3-4,6-7,9-11H2,1-2H3,(H,18,22)
InChIKeyIKBQLZGVWBFAPJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.88
Rot. Bonds4

About 4-(5-cyclopropylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-1-carboxamide

4-(5-cyclopropylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-1-carboxamide (PubChem CID 141163330) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-(5-cyclopropylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-cyclopropylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-1-carboxamide
PubChem CID141163330
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name4-(5-cyclopropylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-1-carboxamide
SMILESCC(C)(CO)NC(=O)N1CCC(n2nccc2C2CC2)CC1
InChIInChI=1S/C16H26N4O2/c1-16(2,11-21)18-15(22)19-9-6-13(7-10-19)20-14(5-8-17-20)12-3-4-12/h5,8,12-13,21H,3-4,6-7,9-11H2,1-2H3,(H,18,22)
InChIKeyIKBQLZGVWBFAPJ-UHFFFAOYSA-N
XLogP1.88
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(5-cyclopropylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-1-carboxamide (CID 141163330) is 4-(5-cyclopropylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-cyclopropylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(5-cyclopropylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-1-carboxamide is CC(C)(CO)NC(=O)N1CCC(n2nccc2C2CC2)CC1.
What is the InChIKey of 4-(5-cyclopropylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-1-carboxamide?
The InChIKey is IKBQLZGVWBFAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-16(2,11-21)18-15(22)19-9-6-13(7-10-19)20-14(5-8-17-20)12-3-4-12/h5,8,12-13,21H,3-4,6-7,9-11H2,1-2H3,(H,18,22).
What are the key properties of 4-(5-cyclopropylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-1-carboxamide?
4-(5-cyclopropylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 141163330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).