1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C23H27F3N6O2 — CID 10073688

IUPAC1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESNC(=O)C1(c2cccc(C(F)(F)F)c2)CCN(C(=O)CN2CCN(c3cnccn3)CC2)CC1
InChIInChI=1S/C23H27F3N6O2/c24-23(25,26)18-3-1-2-17(14-18)22(21(27)34)4-8-32(9-5-22)20(33)16-30-10-12-31(13-11-30)19-15-28-6-7-29-19/h1-3,6-7,14-15H,4-5,8-13,16H2,(H2,27,34)
InChIKeyDPKBPMDTCCTCLE-UHFFFAOYSA-N
MW476.50 g/mol
LogP1.66
Rot. Bonds5

About 1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 10073688) has the molecular formula C23H27F3N6O2 and a molecular weight of 476.50 g/mol. Its IUPAC name is 1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID10073688
Molecular FormulaC23H27F3N6O2
Molecular Weight476.50 g/mol
Exact Mass476.21
IUPAC Name1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESNC(=O)C1(c2cccc(C(F)(F)F)c2)CCN(C(=O)CN2CCN(c3cnccn3)CC2)CC1
InChIInChI=1S/C23H27F3N6O2/c24-23(25,26)18-3-1-2-17(14-18)22(21(27)34)4-8-32(9-5-22)20(33)16-30-10-12-31(13-11-30)19-15-28-6-7-29-19/h1-3,6-7,14-15H,4-5,8-13,16H2,(H2,27,34)
InChIKeyDPKBPMDTCCTCLE-UHFFFAOYSA-N
XLogP1.66
TPSA95.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 10073688) is 1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is NC(=O)C1(c2cccc(C(F)(F)F)c2)CCN(C(=O)CN2CCN(c3cnccn3)CC2)CC1.
What is the InChIKey of 1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is DPKBPMDTCCTCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N6O2/c24-23(25,26)18-3-1-2-17(14-18)22(21(27)34)4-8-32(9-5-22)20(33)16-30-10-12-31(13-11-30)19-15-28-6-7-29-19/h1-3,6-7,14-15H,4-5,8-13,16H2,(H2,27,34).
What are the key properties of 1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 476.50 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 10073688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).