N-phenyl-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide

C25H30N4O — CID 14348735

IUPACN-phenyl-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1)C1(c2ccccc2)CCN(CCn2cccn2)CC1
InChIInChI=1S/C25H30N4O/c1-2-24(30)29(23-12-7-4-8-13-23)25(22-10-5-3-6-11-22)14-18-27(19-15-25)20-21-28-17-9-16-26-28/h3-13,16-17H,2,14-15,18-21H2,1H3
InChIKeyIAZXYDWJTAMXDZ-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.32
Rot. Bonds7

About N-phenyl-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide

N-phenyl-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide (PubChem CID 14348735) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-phenyl-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-phenyl-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide
PubChem CID14348735
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-phenyl-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1)C1(c2ccccc2)CCN(CCn2cccn2)CC1
InChIInChI=1S/C25H30N4O/c1-2-24(30)29(23-12-7-4-8-13-23)25(22-10-5-3-6-11-22)14-18-27(19-15-25)20-21-28-17-9-16-26-28/h3-13,16-17H,2,14-15,18-21H2,1H3
InChIKeyIAZXYDWJTAMXDZ-UHFFFAOYSA-N
XLogP4.32
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-phenyl-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide (CID 14348735) is N-phenyl-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-phenyl-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-phenyl-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide is CCC(=O)N(c1ccccc1)C1(c2ccccc2)CCN(CCn2cccn2)CC1.
What is the InChIKey of N-phenyl-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide?
The InChIKey is IAZXYDWJTAMXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-2-24(30)29(23-12-7-4-8-13-23)25(22-10-5-3-6-11-22)14-18-27(19-15-25)20-21-28-17-9-16-26-28/h3-13,16-17H,2,14-15,18-21H2,1H3.
What are the key properties of N-phenyl-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide?
N-phenyl-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide has a molecular weight of 402.54 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 14348735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).