N,N-dimethyl-1-(2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide

C19H26N4O — CID 155879570

IUPACN,N-dimethyl-1-(2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1(n2cccn2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H26N4O/c1-21(2)18(24)19(23-13-6-12-20-23)10-15-22(16-11-19)14-9-17-7-4-3-5-8-17/h3-8,12-13H,9-11,14-16H2,1-2H3
InChIKeyAEHUOKIFHPJJCO-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.01
Rot. Bonds5

About N,N-dimethyl-1-(2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide

N,N-dimethyl-1-(2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 155879570) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID155879570
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN,N-dimethyl-1-(2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1(n2cccn2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H26N4O/c1-21(2)18(24)19(23-13-6-12-20-23)10-15-22(16-11-19)14-9-17-7-4-3-5-8-17/h3-8,12-13H,9-11,14-16H2,1-2H3
InChIKeyAEHUOKIFHPJJCO-UHFFFAOYSA-N
XLogP2.01
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-(2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 155879570) is N,N-dimethyl-1-(2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide is CN(C)C(=O)C1(n2cccn2)CCN(CCc2ccccc2)CC1.
What is the InChIKey of N,N-dimethyl-1-(2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is AEHUOKIFHPJJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-21(2)18(24)19(23-13-6-12-20-23)10-15-22(16-11-19)14-9-17-7-4-3-5-8-17/h3-8,12-13H,9-11,14-16H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
N,N-dimethyl-1-(2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 155879570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).