2-(4-methylpiperazin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

C10H18F3N3O — CID 140936848

IUPAC2-(4-methylpiperazin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
SMILESC[C@H](NC(=O)CN1CCN(C)CC1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c1-8(10(11,12)13)14-9(17)7-16-5-3-15(2)4-6-16/h8H,3-7H2,1-2H3,(H,14,17)/t8-/m0/s1
InChIKeyNTGINZPMYUIVPW-QMMMGPOBSA-N
MW253.27 g/mol
LogP0.30
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

2-(4-methylpiperazin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (PubChem CID 140936848) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
PubChem CID140936848
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
SMILESC[C@H](NC(=O)CN1CCN(C)CC1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c1-8(10(11,12)13)14-9(17)7-16-5-3-15(2)4-6-16/h8H,3-7H2,1-2H3,(H,14,17)/t8-/m0/s1
InChIKeyNTGINZPMYUIVPW-QMMMGPOBSA-N
XLogP0.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (CID 140936848) is 2-(4-methylpiperazin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is C[C@H](NC(=O)CN1CCN(C)CC1)C(F)(F)F.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The InChIKey is NTGINZPMYUIVPW-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-8(10(11,12)13)14-9(17)7-16-5-3-15(2)4-6-16/h8H,3-7H2,1-2H3,(H,14,17)/t8-/m0/s1.
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
2-(4-methylpiperazin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide has a molecular weight of 253.27 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is sourced from PubChem (CID 140936848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).