3-methyl-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]butanamide

C18H30N4O — CID 25454434

IUPAC3-methyl-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESC/C=C(\C)CN1CCC(n2nccc2NC(=O)CC(C)C)CC1
InChIInChI=1S/C18H30N4O/c1-5-15(4)13-21-10-7-16(8-11-21)22-17(6-9-19-22)20-18(23)12-14(2)3/h5-6,9,14,16H,7-8,10-13H2,1-4H3,(H,20,23)/b15-5+
InChIKeyXYQZICXMVFPIMJ-PJQLUOCWSA-N
MW318.47 g/mol
LogP3.47
Rot. Bonds6

About 3-methyl-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]butanamide

3-methyl-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]butanamide (PubChem CID 25454434) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 3-methyl-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]butanamide
PubChem CID25454434
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name3-methyl-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESC/C=C(\C)CN1CCC(n2nccc2NC(=O)CC(C)C)CC1
InChIInChI=1S/C18H30N4O/c1-5-15(4)13-21-10-7-16(8-11-21)22-17(6-9-19-22)20-18(23)12-14(2)3/h5-6,9,14,16H,7-8,10-13H2,1-4H3,(H,20,23)/b15-5+
InChIKeyXYQZICXMVFPIMJ-PJQLUOCWSA-N
XLogP3.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]butanamide (CID 25454434) is 3-methyl-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]butanamide is C/C=C(\C)CN1CCC(n2nccc2NC(=O)CC(C)C)CC1.
What is the InChIKey of 3-methyl-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]butanamide?
The InChIKey is XYQZICXMVFPIMJ-PJQLUOCWSA-N. The full InChI is InChI=1S/C18H30N4O/c1-5-15(4)13-21-10-7-16(8-11-21)22-17(6-9-19-22)20-18(23)12-14(2)3/h5-6,9,14,16H,7-8,10-13H2,1-4H3,(H,20,23)/b15-5+.
What are the key properties of 3-methyl-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]butanamide?
3-methyl-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]butanamide has a molecular weight of 318.47 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]butanamide is sourced from PubChem (CID 25454434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).