2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

C23H31F3N4O3 — CID 55410651

IUPAC2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(C(=O)C2CCCO2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1
InChIInChI=1S/C23H31F3N4O3/c24-23(25,26)17-6-7-19(29-8-2-1-3-9-29)18(15-17)27-21(31)16-28-10-12-30(13-11-28)22(32)20-5-4-14-33-20/h6-7,15,20H,1-5,8-14,16H2,(H,27,31)
InChIKeyNYFVEGVJSNTCOL-UHFFFAOYSA-N
MW468.52 g/mol
LogP2.96
Rot. Bonds5

About 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 55410651) has the molecular formula C23H31F3N4O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID55410651
Molecular FormulaC23H31F3N4O3
Molecular Weight468.52 g/mol
Exact Mass468.23
IUPAC Name2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(C(=O)C2CCCO2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1
InChIInChI=1S/C23H31F3N4O3/c24-23(25,26)17-6-7-19(29-8-2-1-3-9-29)18(15-17)27-21(31)16-28-10-12-30(13-11-28)22(32)20-5-4-14-33-20/h6-7,15,20H,1-5,8-14,16H2,(H,27,31)
InChIKeyNYFVEGVJSNTCOL-UHFFFAOYSA-N
XLogP2.96
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (CID 55410651) is 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCN(C(=O)C2CCCO2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1.
What is the InChIKey of 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NYFVEGVJSNTCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N4O3/c24-23(25,26)17-6-7-19(29-8-2-1-3-9-29)18(15-17)27-21(31)16-28-10-12-30(13-11-28)22(32)20-5-4-14-33-20/h6-7,15,20H,1-5,8-14,16H2,(H,27,31).
What are the key properties of 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 468.52 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 55410651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).