N-[2-[1-[[2-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

C25H30N4O4 — CID 24817880

IUPACN-[2-[1-[[2-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2ccccc2OCCO)CC1
InChIInChI=1S/C25H30N4O4/c1-32-23-9-5-3-7-21(23)25(31)27-24-10-13-26-29(24)20-11-14-28(15-12-20)18-19-6-2-4-8-22(19)33-17-16-30/h2-10,13,20,30H,11-12,14-18H2,1H3,(H,27,31)
InChIKeySLHPEQZPWYOVJI-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.35
Rot. Bonds9

About N-[2-[1-[[2-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

N-[2-[1-[[2-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (PubChem CID 24817880) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[2-[1-[[2-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-[[2-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
PubChem CID24817880
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC NameN-[2-[1-[[2-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2ccccc2OCCO)CC1
InChIInChI=1S/C25H30N4O4/c1-32-23-9-5-3-7-21(23)25(31)27-24-10-13-26-29(24)20-11-14-28(15-12-20)18-19-6-2-4-8-22(19)33-17-16-30/h2-10,13,20,30H,11-12,14-18H2,1H3,(H,27,31)
InChIKeySLHPEQZPWYOVJI-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[1-(3-Furanylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl]-2-methoxybenzamide
CID 24790587
3-[2-(2-methoxyphenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67305655
3-[trans-2-(2-methoxyphenyl)vinyl]-5-(2-methoxy-(1S)-methyl-ethoxy)-N-(1-methyl-1H-pyrazol-3-yl)-benzamide
CID 71540614
3-[2-(2-methoxyphenyl)ethynyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 122177979
3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-5-[2-(3-propan-2-yloxyphenyl)ethynyl]benzamide
CID 122177990
3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-5-[2-[3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]benzamide
CID 122177993
3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-5-[2-[3-(2-morpholin-4-ylethoxy)phenyl]ethynyl]benzamide
CID 122177994
N-{1-[1-(2-hydroxy-3-methoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-phenoxypropanamide
CID 24790063
N-{1-[1-(2-ethoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24790124
N-{1-[1-(3-cyclopentylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24790322
N-{1-[1-(2-fluoro-5-methoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24790783
N-{1-[1-(3,4-dimethylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-phenoxypropanamide
CID 24791072

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[2-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-[1-[[2-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (CID 24817880) is N-[2-[1-[[2-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[1-[[2-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[1-[[2-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2ccccc2OCCO)CC1.
What is the InChIKey of N-[2-[1-[[2-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The InChIKey is SLHPEQZPWYOVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-32-23-9-5-3-7-21(23)25(31)27-24-10-13-26-29(24)20-11-14-28(15-12-20)18-19-6-2-4-8-22(19)33-17-16-30/h2-10,13,20,30H,11-12,14-18H2,1H3,(H,27,31).
What are the key properties of N-[2-[1-[[2-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
N-[2-[1-[[2-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide has a molecular weight of 450.54 g/mol, XLogP of 3.35, 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-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 24817880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).