4-phenyl-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]butanamide

C27H34N4O — CID 24793152

IUPAC4-phenyl-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESCC(CN1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C27H34N4O/c1-22(24-12-6-3-7-13-24)21-30-19-16-25(17-20-30)31-26(15-18-28-31)29-27(32)14-8-11-23-9-4-2-5-10-23/h2-7,9-10,12-13,15,18,22,25H,8,11,14,16-17,19-21H2,1H3,(H,29,32)
InChIKeyWQPYHIQZIZRSKE-UHFFFAOYSA-N
MW430.60 g/mol
LogP5.29
Rot. Bonds9

About 4-phenyl-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]butanamide

4-phenyl-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]butanamide (PubChem CID 24793152) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is 4-phenyl-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]butanamide
PubChem CID24793152
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC Name4-phenyl-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESCC(CN1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C27H34N4O/c1-22(24-12-6-3-7-13-24)21-30-19-16-25(17-20-30)31-26(15-18-28-31)29-27(32)14-8-11-23-9-4-2-5-10-23/h2-7,9-10,12-13,15,18,22,25H,8,11,14,16-17,19-21H2,1H3,(H,29,32)
InChIKeyWQPYHIQZIZRSKE-UHFFFAOYSA-N
XLogP5.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]butanamide?
The IUPAC name of 4-phenyl-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]butanamide (CID 24793152) is 4-phenyl-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]butanamide.
What is the SMILES notation for 4-phenyl-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]butanamide?
The canonical SMILES for 4-phenyl-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]butanamide is CC(CN1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 4-phenyl-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]butanamide?
The InChIKey is WQPYHIQZIZRSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c1-22(24-12-6-3-7-13-24)21-30-19-16-25(17-20-30)31-26(15-18-28-31)29-27(32)14-8-11-23-9-4-2-5-10-23/h2-7,9-10,12-13,15,18,22,25H,8,11,14,16-17,19-21H2,1H3,(H,29,32).
What are the key properties of 4-phenyl-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]butanamide?
4-phenyl-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]butanamide has a molecular weight of 430.60 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]butanamide is sourced from PubChem (CID 24793152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).