N-[1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide

C27H31FN4O2 — CID 45169855

IUPACN-[1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(C)n1)C(Cc1ccccc1)C1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C27H31FN4O2/c1-30-15-14-24(29-30)27(34)31(2)25(18-20-8-4-3-5-9-20)21-12-16-32(17-13-21)26(33)19-22-10-6-7-11-23(22)28/h3-11,14-15,21,25H,12-13,16-19H2,1-2H3
InChIKeyZUUKIPPTQKOWAR-UHFFFAOYSA-N
MW462.57 g/mol
LogP3.72
Rot. Bonds7

About N-[1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide

N-[1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 45169855) has the molecular formula C27H31FN4O2 and a molecular weight of 462.57 g/mol. Its IUPAC name is N-[1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID45169855
Molecular FormulaC27H31FN4O2
Molecular Weight462.57 g/mol
Exact Mass462.24
IUPAC NameN-[1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(C)n1)C(Cc1ccccc1)C1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C27H31FN4O2/c1-30-15-14-24(29-30)27(34)31(2)25(18-20-8-4-3-5-9-20)21-12-16-32(17-13-21)26(33)19-22-10-6-7-11-23(22)28/h3-11,14-15,21,25H,12-13,16-19H2,1-2H3
InChIKeyZUUKIPPTQKOWAR-UHFFFAOYSA-N
XLogP3.72
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide (CID 45169855) is N-[1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide is CN(C(=O)c1ccn(C)n1)C(Cc1ccccc1)C1CCN(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of N-[1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is ZUUKIPPTQKOWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O2/c1-30-15-14-24(29-30)27(34)31(2)25(18-20-8-4-3-5-9-20)21-12-16-32(17-13-21)26(33)19-22-10-6-7-11-23(22)28/h3-11,14-15,21,25H,12-13,16-19H2,1-2H3.
What are the key properties of N-[1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide?
N-[1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 462.57 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 45169855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).