N-[1-(2-phenylethyl)piperidin-4-yl]-N-(1-phenylpyrazol-3-yl)propanamide

C25H30N4O — CID 5254668

IUPACN-[1-(2-phenylethyl)piperidin-4-yl]-N-(1-phenylpyrazol-3-yl)propanamide
SMILESCCC(=O)N(c1ccn(-c2ccccc2)n1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H30N4O/c1-2-25(30)29(24-16-20-28(26-24)22-11-7-4-8-12-22)23-14-18-27(19-15-23)17-13-21-9-5-3-6-10-21/h3-12,16,20,23H,2,13-15,17-19H2,1H3
InChIKeyQHVISDICNMQANG-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.32
Rot. Bonds7

About N-[1-(2-phenylethyl)piperidin-4-yl]-N-(1-phenylpyrazol-3-yl)propanamide

N-[1-(2-phenylethyl)piperidin-4-yl]-N-(1-phenylpyrazol-3-yl)propanamide (PubChem CID 5254668) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[1-(2-phenylethyl)piperidin-4-yl]-N-(1-phenylpyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-phenylethyl)piperidin-4-yl]-N-(1-phenylpyrazol-3-yl)propanamide
PubChem CID5254668
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-[1-(2-phenylethyl)piperidin-4-yl]-N-(1-phenylpyrazol-3-yl)propanamide
SMILESCCC(=O)N(c1ccn(-c2ccccc2)n1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H30N4O/c1-2-25(30)29(24-16-20-28(26-24)22-11-7-4-8-12-22)23-14-18-27(19-15-23)17-13-21-9-5-3-6-10-21/h3-12,16,20,23H,2,13-15,17-19H2,1H3
InChIKeyQHVISDICNMQANG-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-[1-(2-phenylethyl)piperidin-4-yl]-N-(1-phenylpyrazol-3-yl)propanamide?
The IUPAC name of N-[1-(2-phenylethyl)piperidin-4-yl]-N-(1-phenylpyrazol-3-yl)propanamide (CID 5254668) is N-[1-(2-phenylethyl)piperidin-4-yl]-N-(1-phenylpyrazol-3-yl)propanamide.
What is the SMILES notation for N-[1-(2-phenylethyl)piperidin-4-yl]-N-(1-phenylpyrazol-3-yl)propanamide?
The canonical SMILES for N-[1-(2-phenylethyl)piperidin-4-yl]-N-(1-phenylpyrazol-3-yl)propanamide is CCC(=O)N(c1ccn(-c2ccccc2)n1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[1-(2-phenylethyl)piperidin-4-yl]-N-(1-phenylpyrazol-3-yl)propanamide?
The InChIKey is QHVISDICNMQANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-2-25(30)29(24-16-20-28(26-24)22-11-7-4-8-12-22)23-14-18-27(19-15-23)17-13-21-9-5-3-6-10-21/h3-12,16,20,23H,2,13-15,17-19H2,1H3.
What are the key properties of N-[1-(2-phenylethyl)piperidin-4-yl]-N-(1-phenylpyrazol-3-yl)propanamide?
N-[1-(2-phenylethyl)piperidin-4-yl]-N-(1-phenylpyrazol-3-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-[1-(2-phenylethyl)piperidin-4-yl]-N-(1-phenylpyrazol-3-yl)propanamide is sourced from PubChem (CID 5254668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).