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

C25H30N4O4 — CID 24790063

IUPACN-[2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESCOc1cccc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)c1O
InChIInChI=1S/C25H30N4O4/c1-32-22-9-5-6-19(25(22)31)18-28-15-11-20(12-16-28)29-23(10-14-26-29)27-24(30)13-17-33-21-7-3-2-4-8-21/h2-10,14,20,31H,11-13,15-18H2,1H3,(H,27,30)
InChIKeyTUBDZACMMBOLNP-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.84
Rot. Bonds9

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

N-[2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (PubChem CID 24790063) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
PubChem CID24790063
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC NameN-[2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESCOc1cccc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)c1O
InChIInChI=1S/C25H30N4O4/c1-32-22-9-5-6-19(25(22)31)18-28-15-11-20(12-16-28)29-23(10-14-26-29)27-24(30)13-17-33-21-7-3-2-4-8-21/h2-10,14,20,31H,11-13,15-18H2,1H3,(H,27,30)
InChIKeyTUBDZACMMBOLNP-UHFFFAOYSA-N
XLogP3.84
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-phenoxypropanamide
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CID 42592754
N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
CID 24791036
N-[2-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
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N-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide
CID 78772110
2-methoxy-N-[2-[1-(quinolin-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 29258956
N-[2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
CID 25492362
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide
CID 25450557
1-(2-methoxyphenyl)-3-[2-[1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]urea
CID 26336058
N-[2-[1-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 42565376
N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 24819374
N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (CID 24790063) is N-[2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is COc1cccc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)c1O.
What is the InChIKey of N-[2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The InChIKey is TUBDZACMMBOLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-32-22-9-5-6-19(25(22)31)18-28-15-11-20(12-16-28)29-23(10-14-26-29)27-24(30)13-17-33-21-7-3-2-4-8-21/h2-10,14,20,31H,11-13,15-18H2,1H3,(H,27,30).
What are the key properties of N-[2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
N-[2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide has a molecular weight of 450.54 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is sourced from PubChem (CID 24790063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).