N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide

C27H32N4O2 — CID 24792026

IUPACN-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESCOc1ccccc1/C=C/CN1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C27H32N4O2/c1-33-25-12-6-5-10-23(25)11-7-19-30-20-16-24(17-21-30)31-26(15-18-28-31)29-27(32)14-13-22-8-3-2-4-9-22/h2-12,15,18,24H,13-14,16-17,19-21H2,1H3,(H,29,32)/b11-7+
InChIKeyYOIAVORBBIYGEU-YRNVUSSQSA-N
MW444.58 g/mol
LogP4.81
Rot. Bonds9

About N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide

N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (PubChem CID 24792026) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
PubChem CID24792026
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC NameN-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESCOc1ccccc1/C=C/CN1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C27H32N4O2/c1-33-25-12-6-5-10-23(25)11-7-19-30-20-16-24(17-21-30)31-26(15-18-28-31)29-27(32)14-13-22-8-3-2-4-9-22/h2-12,15,18,24H,13-14,16-17,19-21H2,1H3,(H,29,32)/b11-7+
InChIKeyYOIAVORBBIYGEU-YRNVUSSQSA-N
XLogP4.81
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560290
2-[4-(dimethylamino)phenyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-yl]acetamide
CID 118560399
N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560394
2-[4-(dimethylamino)phenyl]-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 118560472
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
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
N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
CID 24791138

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (CID 24792026) is N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is COc1ccccc1/C=C/CN1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The InChIKey is YOIAVORBBIYGEU-YRNVUSSQSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-33-25-12-6-5-10-23(25)11-7-19-30-20-16-24(17-21-30)31-26(15-18-28-31)29-27(32)14-13-22-8-3-2-4-9-22/h2-12,15,18,24H,13-14,16-17,19-21H2,1H3,(H,29,32)/b11-7+.
What are the key properties of N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide has a molecular weight of 444.58 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 24792026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).