N-cyclopropyl-2-(4-fluorophenyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide

C21H31FN4O2 — CID 24595297

IUPACN-cyclopropyl-2-(4-fluorophenyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCC(C)CNC(=O)CN1CCN(C(C(=O)NC2CC2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H31FN4O2/c1-15(2)13-23-19(27)14-25-9-11-26(12-10-25)20(21(28)24-18-7-8-18)16-3-5-17(22)6-4-16/h3-6,15,18,20H,7-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyYLUCWVQUCSOQJT-UHFFFAOYSA-N
MW390.50 g/mol
LogP1.54
Rot. Bonds8

About N-cyclopropyl-2-(4-fluorophenyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-(4-fluorophenyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 24595297) has the molecular formula C21H31FN4O2 and a molecular weight of 390.50 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-fluorophenyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-fluorophenyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID24595297
Molecular FormulaC21H31FN4O2
Molecular Weight390.50 g/mol
Exact Mass390.24
IUPAC NameN-cyclopropyl-2-(4-fluorophenyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCC(C)CNC(=O)CN1CCN(C(C(=O)NC2CC2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H31FN4O2/c1-15(2)13-23-19(27)14-25-9-11-26(12-10-25)20(21(28)24-18-7-8-18)16-3-5-17(22)6-4-16/h3-6,15,18,20H,7-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyYLUCWVQUCSOQJT-UHFFFAOYSA-N
XLogP1.54
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-fluorophenyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-(4-fluorophenyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide (CID 24595297) is N-cyclopropyl-2-(4-fluorophenyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-fluorophenyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-fluorophenyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide is CC(C)CNC(=O)CN1CCN(C(C(=O)NC2CC2)c2ccc(F)cc2)CC1.
What is the InChIKey of N-cyclopropyl-2-(4-fluorophenyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is YLUCWVQUCSOQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN4O2/c1-15(2)13-23-19(27)14-25-9-11-26(12-10-25)20(21(28)24-18-7-8-18)16-3-5-17(22)6-4-16/h3-6,15,18,20H,7-14H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-cyclopropyl-2-(4-fluorophenyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-(4-fluorophenyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 390.50 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-fluorophenyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 24595297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).