N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C16H23F3N4O4 — CID 110287279

IUPACN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)CCNC(=O)C2CCCN2C(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H23F3N4O4/c1-11(24)21-7-9-22(10-8-21)13(25)4-5-20-14(26)12-3-2-6-23(12)15(27)16(17,18)19/h12H,2-10H2,1H3,(H,20,26)
InChIKeyFGMNIOKVOKILSH-UHFFFAOYSA-N
MW392.38 g/mol
LogP-0.26
Rot. Bonds4

About N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 110287279) has the molecular formula C16H23F3N4O4 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID110287279
Molecular FormulaC16H23F3N4O4
Molecular Weight392.38 g/mol
Exact Mass392.17
IUPAC NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)CCNC(=O)C2CCCN2C(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H23F3N4O4/c1-11(24)21-7-9-22(10-8-21)13(25)4-5-20-14(26)12-3-2-6-23(12)15(27)16(17,18)19/h12H,2-10H2,1H3,(H,20,26)
InChIKeyFGMNIOKVOKILSH-UHFFFAOYSA-N
XLogP-0.26
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 110287279) is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is CC(=O)N1CCN(C(=O)CCNC(=O)C2CCCN2C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is FGMNIOKVOKILSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O4/c1-11(24)21-7-9-22(10-8-21)13(25)4-5-20-14(26)12-3-2-6-23(12)15(27)16(17,18)19/h12H,2-10H2,1H3,(H,20,26).
What are the key properties of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 392.38 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110287279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).