N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide

C23H30N4O2 — CID 24790548

IUPACN-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide
SMILESC=CCCC(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C23H30N4O2/c1-2-3-12-23(29)26-17-14-20(15-18-26)27-21(13-16-24-27)25-22(28)11-7-10-19-8-5-4-6-9-19/h2,4-6,8-9,13,16,20H,1,3,7,10-12,14-15,17-18H2,(H,25,28)
InChIKeySIBSRWPSOZWKQQ-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.97
Rot. Bonds9

About N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide

N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide (PubChem CID 24790548) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide
PubChem CID24790548
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide
SMILESC=CCCC(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C23H30N4O2/c1-2-3-12-23(29)26-17-14-20(15-18-26)27-21(13-16-24-27)25-22(28)11-7-10-19-8-5-4-6-9-19/h2,4-6,8-9,13,16,20H,1,3,7,10-12,14-15,17-18H2,(H,25,28)
InChIKeySIBSRWPSOZWKQQ-UHFFFAOYSA-N
XLogP3.97
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.97
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-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide (CID 24790548) is N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide is C=CCCC(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1.
What is the InChIKey of N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide?
The InChIKey is SIBSRWPSOZWKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-2-3-12-23(29)26-17-14-20(15-18-26)27-21(13-16-24-27)25-22(28)11-7-10-19-8-5-4-6-9-19/h2,4-6,8-9,13,16,20H,1,3,7,10-12,14-15,17-18H2,(H,25,28).
What are the key properties of N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide?
N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide has a molecular weight of 394.52 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 24790548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).