N-phenyl-3-[1-[1-(5-phenyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]propanamide

C25H30N4O — CID 73355014

IUPACN-phenyl-3-[1-[1-(5-phenyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]propanamide
SMILESCC(c1cn[nH]c1-c1ccccc1)N1CCC(CCC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C25H30N4O/c1-19(23-18-26-28-25(23)21-8-4-2-5-9-21)29-16-14-20(15-17-29)12-13-24(30)27-22-10-6-3-7-11-22/h2-11,18-20H,12-17H2,1H3,(H,26,28)(H,27,30)
InChIKeyODOVTEFMVFIJDE-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.27
Rot. Bonds7

About N-phenyl-3-[1-[1-(5-phenyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]propanamide

N-phenyl-3-[1-[1-(5-phenyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]propanamide (PubChem CID 73355014) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-phenyl-3-[1-[1-(5-phenyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-phenyl-3-[1-[1-(5-phenyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]propanamide
PubChem CID73355014
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-phenyl-3-[1-[1-(5-phenyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]propanamide
SMILESCC(c1cn[nH]c1-c1ccccc1)N1CCC(CCC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C25H30N4O/c1-19(23-18-26-28-25(23)21-8-4-2-5-9-21)29-16-14-20(15-17-29)12-13-24(30)27-22-10-6-3-7-11-22/h2-11,18-20H,12-17H2,1H3,(H,26,28)(H,27,30)
InChIKeyODOVTEFMVFIJDE-UHFFFAOYSA-N
XLogP5.27
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile
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2-(1,3-Diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone
CID 4799063
1-(4-fluorophenyl)-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
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1-benzyl-N-(1H-indazol-5-yl)piperidine-4-carboxamide
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2-cyclohexyl-N-(1H-indazol-5-yl)acetamide
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1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione
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(R)-N-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-3-(3-fluorophenyl)propanamide
CID 46900277
N-isopropyl-3-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl}benzamide
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Rock-IN-D3
CID 68520643
1-[3-(dimethylamino)-1-phenylpropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-[1-[1-(5-phenyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]propanamide?
The IUPAC name of N-phenyl-3-[1-[1-(5-phenyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]propanamide (CID 73355014) is N-phenyl-3-[1-[1-(5-phenyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-phenyl-3-[1-[1-(5-phenyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-phenyl-3-[1-[1-(5-phenyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]propanamide is CC(c1cn[nH]c1-c1ccccc1)N1CCC(CCC(=O)Nc2ccccc2)CC1.
What is the InChIKey of N-phenyl-3-[1-[1-(5-phenyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]propanamide?
The InChIKey is ODOVTEFMVFIJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-19(23-18-26-28-25(23)21-8-4-2-5-9-21)29-16-14-20(15-17-29)12-13-24(30)27-22-10-6-3-7-11-22/h2-11,18-20H,12-17H2,1H3,(H,26,28)(H,27,30).
What are the key properties of N-phenyl-3-[1-[1-(5-phenyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]propanamide?
N-phenyl-3-[1-[1-(5-phenyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]propanamide has a molecular weight of 402.54 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-[1-[1-(5-phenyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 73355014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).