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

C26H32N4O3 — CID 24790765

IUPACN-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESCOc1cc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)ccc1O
InChIInChI=1S/C26H32N4O3/c1-33-24-18-21(10-11-23(24)31)19-29-16-13-22(14-17-29)30-25(12-15-27-30)28-26(32)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,10-12,15,18,22,31H,5,8-9,13-14,16-17,19H2,1H3,(H,28,32)
InChIKeyPZRWXJZKCCPMAM-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.40
Rot. Bonds9

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

N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (PubChem CID 24790765) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
PubChem CID24790765
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESCOc1cc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)ccc1O
InChIInChI=1S/C26H32N4O3/c1-33-24-18-21(10-11-23(24)31)19-29-16-13-22(14-17-29)30-25(12-15-27-30)28-26(32)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,10-12,15,18,22,31H,5,8-9,13-14,16-17,19H2,1H3,(H,28,32)
InChIKeyPZRWXJZKCCPMAM-UHFFFAOYSA-N
XLogP4.40
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (CID 24790765) is N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is COc1cc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)ccc1O.
What is the InChIKey of N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The InChIKey is PZRWXJZKCCPMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-33-24-18-21(10-11-23(24)31)19-29-16-13-22(14-17-29)30-25(12-15-27-30)28-26(32)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,10-12,15,18,22,31H,5,8-9,13-14,16-17,19H2,1H3,(H,28,32).
What are the key properties of N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide has a molecular weight of 448.57 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 24790765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).