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

C23H32N4O — CID 24790768

IUPACN-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESC/C=C(\C)CN1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C23H32N4O/c1-3-19(2)18-26-16-13-21(14-17-26)27-22(12-15-24-27)25-23(28)11-7-10-20-8-5-4-6-9-20/h3-6,8-9,12,15,21H,7,10-11,13-14,16-18H2,1-2H3,(H,25,28)/b19-3+
InChIKeyOPWILIGIGSUNQU-QBROUFQSSA-N
MW380.54 g/mol
LogP4.45
Rot. Bonds8

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

N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (PubChem CID 24790768) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
PubChem CID24790768
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESC/C=C(\C)CN1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C23H32N4O/c1-3-19(2)18-26-16-13-21(14-17-26)27-22(12-15-24-27)25-23(28)11-7-10-20-8-5-4-6-9-20/h3-6,8-9,12,15,21H,7,10-11,13-14,16-18H2,1-2H3,(H,25,28)/b19-3+
InChIKeyOPWILIGIGSUNQU-QBROUFQSSA-N
XLogP4.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.45
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 N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (CID 24790768) is N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is C/C=C(\C)CN1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1.
What is the InChIKey of N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The InChIKey is OPWILIGIGSUNQU-QBROUFQSSA-N. The full InChI is InChI=1S/C23H32N4O/c1-3-19(2)18-26-16-13-21(14-17-26)27-22(12-15-24-27)25-23(28)11-7-10-20-8-5-4-6-9-20/h3-6,8-9,12,15,21H,7,10-11,13-14,16-18H2,1-2H3,(H,25,28)/b19-3+.
What are the key properties of N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide has a molecular weight of 380.54 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 24790768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).