N-(1-acetylpiperidin-4-yl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide

C20H27F3N4O2 — CID 78821218

IUPACN-(1-acetylpiperidin-4-yl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide
SMILESCC(=O)N1CCC(NC(=O)CNc2cc(C(F)(F)F)ccc2N2CCCC2)CC1
InChIInChI=1S/C20H27F3N4O2/c1-14(28)26-10-6-16(7-11-26)25-19(29)13-24-17-12-15(20(21,22)23)4-5-18(17)27-8-2-3-9-27/h4-5,12,16,24H,2-3,6-11,13H2,1H3,(H,25,29)
InChIKeyHONIQGMMEMQQEX-UHFFFAOYSA-N
MW412.46 g/mol
LogP2.84
Rot. Bonds5

About N-(1-acetylpiperidin-4-yl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide

N-(1-acetylpiperidin-4-yl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide (PubChem CID 78821218) has the molecular formula C20H27F3N4O2 and a molecular weight of 412.46 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide
PubChem CID78821218
Molecular FormulaC20H27F3N4O2
Molecular Weight412.46 g/mol
Exact Mass412.21
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide
SMILESCC(=O)N1CCC(NC(=O)CNc2cc(C(F)(F)F)ccc2N2CCCC2)CC1
InChIInChI=1S/C20H27F3N4O2/c1-14(28)26-10-6-16(7-11-26)25-19(29)13-24-17-12-15(20(21,22)23)4-5-18(17)27-8-2-3-9-27/h4-5,12,16,24H,2-3,6-11,13H2,1H3,(H,25,29)
InChIKeyHONIQGMMEMQQEX-UHFFFAOYSA-N
XLogP2.84
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide (CID 78821218) is N-(1-acetylpiperidin-4-yl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide is CC(=O)N1CCC(NC(=O)CNc2cc(C(F)(F)F)ccc2N2CCCC2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide?
The InChIKey is HONIQGMMEMQQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N4O2/c1-14(28)26-10-6-16(7-11-26)25-19(29)13-24-17-12-15(20(21,22)23)4-5-18(17)27-8-2-3-9-27/h4-5,12,16,24H,2-3,6-11,13H2,1H3,(H,25,29).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide?
N-(1-acetylpiperidin-4-yl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide has a molecular weight of 412.46 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 78821218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).