N-[2-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

C26H32N4O3 — CID 25452856

IUPACN-[2-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN([C@H](C)CCc2ccc(O)cc2)CC1
InChIInChI=1S/C26H32N4O3/c1-19(7-8-20-9-11-22(31)12-10-20)29-17-14-21(15-18-29)30-25(13-16-27-30)28-26(32)23-5-3-4-6-24(23)33-2/h3-6,9-13,16,19,21,31H,7-8,14-15,17-18H2,1-2H3,(H,28,32)/t19-/m1/s1
InChIKeyBAXFEQFOHQLVKJ-LJQANCHMSA-N
MW448.57 g/mol
LogP4.51
Rot. Bonds8

About N-[2-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

N-[2-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (PubChem CID 25452856) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[2-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
PubChem CID25452856
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-[2-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN([C@H](C)CCc2ccc(O)cc2)CC1
InChIInChI=1S/C26H32N4O3/c1-19(7-8-20-9-11-22(31)12-10-20)29-17-14-21(15-18-29)30-25(13-16-27-30)28-26(32)23-5-3-4-6-24(23)33-2/h3-6,9-13,16,19,21,31H,7-8,14-15,17-18H2,1-2H3,(H,28,32)/t19-/m1/s1
InChIKeyBAXFEQFOHQLVKJ-LJQANCHMSA-N
XLogP4.51
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (CID 25452856) is N-[2-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccnn1C1CCN([C@H](C)CCc2ccc(O)cc2)CC1.
What is the InChIKey of N-[2-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The InChIKey is BAXFEQFOHQLVKJ-LJQANCHMSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-19(7-8-20-9-11-22(31)12-10-20)29-17-14-21(15-18-29)30-25(13-16-27-30)28-26(32)23-5-3-4-6-24(23)33-2/h3-6,9-13,16,19,21,31H,7-8,14-15,17-18H2,1-2H3,(H,28,32)/t19-/m1/s1.
What are the key properties of N-[2-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
N-[2-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide has a molecular weight of 448.57 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 25452856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).