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

C26H30N4O3 — CID 24791036

IUPACN-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESCC(=O)c1cccc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)c1
InChIInChI=1S/C26H30N4O3/c1-20(31)22-7-5-6-21(18-22)19-29-15-11-23(12-16-29)30-25(10-14-27-30)28-26(32)13-17-33-24-8-3-2-4-9-24/h2-10,14,18,23H,11-13,15-17,19H2,1H3,(H,28,32)
InChIKeyZXCUIGYLYGVHCJ-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.33
Rot. Bonds9

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

N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (PubChem CID 24791036) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
PubChem CID24791036
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC NameN-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESCC(=O)c1cccc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)c1
InChIInChI=1S/C26H30N4O3/c1-20(31)22-7-5-6-21(18-22)19-29-15-11-23(12-16-29)30-25(10-14-27-30)28-26(32)13-17-33-24-8-3-2-4-9-24/h2-10,14,18,23H,11-13,15-17,19H2,1H3,(H,28,32)
InChIKeyZXCUIGYLYGVHCJ-UHFFFAOYSA-N
XLogP4.33
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-phenoxypropanamide
CID 24817380
N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
CID 25487941
N-[2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
CID 24790063
N-[2-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
CID 56756448
N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
CID 42592754
N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 25369393
N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 24790682
N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
CID 25455004
N-[2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
CID 25492362
N-[2-[1-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 42565376
N-[2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 42287752
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide
CID 42302028

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (CID 24791036) is N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is CC(=O)c1cccc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)c1.
What is the InChIKey of N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The InChIKey is ZXCUIGYLYGVHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-20(31)22-7-5-6-21(18-22)19-29-15-11-23(12-16-29)30-25(10-14-27-30)28-26(32)13-17-33-24-8-3-2-4-9-24/h2-10,14,18,23H,11-13,15-17,19H2,1H3,(H,28,32).
What are the key properties of N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide has a molecular weight of 446.55 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is sourced from PubChem (CID 24791036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).