3-phenoxy-N-[2-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-3-yl]propanamide

C25H30N4O2 — CID 24817024

IUPAC3-phenoxy-N-[2-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-3-yl]propanamide
SMILESO=C(CCOc1ccccc1)Nc1ccnn1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H30N4O2/c30-25(15-20-31-23-9-5-2-6-10-23)27-24-11-16-26-29(24)22-13-18-28(19-14-22)17-12-21-7-3-1-4-8-21/h1-11,16,22H,12-15,17-20H2,(H,27,30)
InChIKeyGCJYYZODYYCJHB-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.17
Rot. Bonds9

About 3-phenoxy-N-[2-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-3-yl]propanamide

3-phenoxy-N-[2-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-3-yl]propanamide (PubChem CID 24817024) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 3-phenoxy-N-[2-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-phenoxy-N-[2-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-3-yl]propanamide
PubChem CID24817024
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name3-phenoxy-N-[2-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-3-yl]propanamide
SMILESO=C(CCOc1ccccc1)Nc1ccnn1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H30N4O2/c30-25(15-20-31-23-9-5-2-6-10-23)27-24-11-16-26-29(24)22-13-18-28(19-14-22)17-12-21-7-3-1-4-8-21/h1-11,16,22H,12-15,17-20H2,(H,27,30)
InChIKeyGCJYYZODYYCJHB-UHFFFAOYSA-N
XLogP4.17
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(oxetan-3-yloxy)phenyl]acetamide
CID 118560543
2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560613
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]acetamide
CID 126740697
N-(1-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-phenoxypropanamide
CID 24791744
N-(1-benzylpyrazol-3-yl)-2-(4-methoxyphenyl)acetamide
CID 6461757
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
N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 24791091
N-{1-[1-(4-ethoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24791108

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[2-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-3-yl]propanamide?
The IUPAC name of 3-phenoxy-N-[2-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-3-yl]propanamide (CID 24817024) is 3-phenoxy-N-[2-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-phenoxy-N-[2-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-3-yl]propanamide?
The canonical SMILES for 3-phenoxy-N-[2-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-3-yl]propanamide is O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 3-phenoxy-N-[2-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-3-yl]propanamide?
The InChIKey is GCJYYZODYYCJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c30-25(15-20-31-23-9-5-2-6-10-23)27-24-11-16-26-29(24)22-13-18-28(19-14-22)17-12-21-7-3-1-4-8-21/h1-11,16,22H,12-15,17-20H2,(H,27,30).
What are the key properties of 3-phenoxy-N-[2-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-3-yl]propanamide?
3-phenoxy-N-[2-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-3-yl]propanamide has a molecular weight of 418.54 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[2-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 24817024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).