N-[2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide

C26H32N4O2 — CID 24790594

IUPACN-[2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESCOc1cccc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)c1
InChIInChI=1S/C26H32N4O2/c1-32-24-11-5-10-22(19-24)20-29-17-14-23(15-18-29)30-25(13-16-27-30)28-26(31)12-6-9-21-7-3-2-4-8-21/h2-5,7-8,10-11,13,16,19,23H,6,9,12,14-15,17-18,20H2,1H3,(H,28,31)
InChIKeyZZQPHHYNPBLMCL-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.69
Rot. Bonds9

About N-[2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide

N-[2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (PubChem CID 24790594) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
PubChem CID24790594
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-[2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESCOc1cccc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)c1
InChIInChI=1S/C26H32N4O2/c1-32-24-11-5-10-22(19-24)20-29-17-14-23(15-18-29)30-25(13-16-27-30)28-26(31)12-6-9-21-7-3-2-4-8-21/h2-5,7-8,10-11,13,16,19,23H,6,9,12,14-15,17-18,20H2,1H3,(H,28,31)
InChIKeyZZQPHHYNPBLMCL-UHFFFAOYSA-N
XLogP4.69
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (CID 24790594) is N-[2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is COc1cccc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)c1.
What is the InChIKey of N-[2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The InChIKey is ZZQPHHYNPBLMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-32-24-11-5-10-22(19-24)20-29-17-14-23(15-18-29)30-25(13-16-27-30)28-26(31)12-6-9-21-7-3-2-4-8-21/h2-5,7-8,10-11,13,16,19,23H,6,9,12,14-15,17-18,20H2,1H3,(H,28,31).
What are the key properties of N-[2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
N-[2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide has a molecular weight of 432.57 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 24790594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).