2-methoxy-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide

C25H28N4O2 — CID 24793839

IUPAC2-methoxy-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C25H28N4O2/c1-31-23-12-6-5-11-22(23)25(30)27-24-13-16-26-29(24)21-14-18-28(19-15-21)17-7-10-20-8-3-2-4-9-20/h2-13,16,21H,14-15,17-19H2,1H3,(H,27,30)/b10-7+
InChIKeyPPRCIIWOFYPZPE-JXMROGBWSA-N
MW416.53 g/mol
LogP4.49
Rot. Bonds7

About 2-methoxy-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide

2-methoxy-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24793839) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-methoxy-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24793839
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name2-methoxy-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C25H28N4O2/c1-31-23-12-6-5-11-22(23)25(30)27-24-13-16-26-29(24)21-14-18-28(19-15-21)17-7-10-20-8-3-2-4-9-20/h2-13,16,21H,14-15,17-19H2,1H3,(H,27,30)/b10-7+
InChIKeyPPRCIIWOFYPZPE-JXMROGBWSA-N
XLogP4.49
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-Amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone
CID 971668
6-[(2-methylpyrazol-3-yl)amino]-4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 44583350
N-benzyl-1-(2-methoxybenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 2983598
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
2-[4-(dimethylamino)phenyl]-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 118560472
4-methoxy-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]benzamide
CID 156010447
N-(1-benzyl-1H-pyrazol-3-yl)-2-(4-methoxyphenyl)acetamide
CID 6461757
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
2-methoxy-N-{1-[1-(4-methylbenzoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-phenylacetamide
CID 24790333

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24793839) is 2-methoxy-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide is COc1ccccc1C(=O)Nc1ccnn1C1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 2-methoxy-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is PPRCIIWOFYPZPE-JXMROGBWSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-31-23-12-6-5-11-22(23)25(30)27-24-13-16-26-29(24)21-14-18-28(19-15-21)17-7-10-20-8-3-2-4-9-20/h2-13,16,21H,14-15,17-19H2,1H3,(H,27,30)/b10-7+.
What are the key properties of 2-methoxy-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
2-methoxy-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 416.53 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24793839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).