N-[2-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide

C24H34N4O2 — CID 24817718

IUPACN-[2-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESC=C(C)CCC(C)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C24H34N4O2/c1-19(2)9-10-20(3)27-16-12-21(13-17-27)28-23(11-15-25-28)26-24(29)14-18-30-22-7-5-4-6-8-22/h4-8,11,15,20-21H,1,9-10,12-14,16-18H2,2-3H3,(H,26,29)
InChIKeyISJDRXUAKXKNMK-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.67
Rot. Bonds10

About N-[2-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide

N-[2-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (PubChem CID 24817718) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[2-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
PubChem CID24817718
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC NameN-[2-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESC=C(C)CCC(C)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C24H34N4O2/c1-19(2)9-10-20(3)27-16-12-21(13-17-27)28-23(11-15-25-28)26-24(29)14-18-30-22-7-5-4-6-8-22/h4-8,11,15,20-21H,1,9-10,12-14,16-18H2,2-3H3,(H,26,29)
InChIKeyISJDRXUAKXKNMK-UHFFFAOYSA-N
XLogP4.67
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(5-methylhex-5-en-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (CID 24817718) is N-[2-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is C=C(C)CCC(C)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1.
What is the InChIKey of N-[2-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The InChIKey is ISJDRXUAKXKNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-19(2)9-10-20(3)27-16-12-21(13-17-27)28-23(11-15-25-28)26-24(29)14-18-30-22-7-5-4-6-8-22/h4-8,11,15,20-21H,1,9-10,12-14,16-18H2,2-3H3,(H,26,29).
What are the key properties of N-[2-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
N-[2-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide has a molecular weight of 410.56 g/mol, XLogP of 4.67, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is sourced from PubChem (CID 24817718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).