N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide

C20H29F3N4O — CID 25329580

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESCCN1CCN(c2ccc(NC(=O)CN3CCC[C@H](C(F)(F)F)C3)cc2)CC1
InChIInChI=1S/C20H29F3N4O/c1-2-25-10-12-27(13-11-25)18-7-5-17(6-8-18)24-19(28)15-26-9-3-4-16(14-26)20(21,22)23/h5-8,16H,2-4,9-15H2,1H3,(H,24,28)/t16-/m0/s1
InChIKeyGAQMYXXCZHBJGH-INIZCTEOSA-N
MW398.47 g/mol
LogP3.04
Rot. Bonds5

About N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide

N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide (PubChem CID 25329580) has the molecular formula C20H29F3N4O and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide
PubChem CID25329580
Molecular FormulaC20H29F3N4O
Molecular Weight398.47 g/mol
Exact Mass398.23
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESCCN1CCN(c2ccc(NC(=O)CN3CCC[C@H](C(F)(F)F)C3)cc2)CC1
InChIInChI=1S/C20H29F3N4O/c1-2-25-10-12-27(13-11-25)18-7-5-17(6-8-18)24-19(28)15-26-9-3-4-16(14-26)20(21,22)23/h5-8,16H,2-4,9-15H2,1H3,(H,24,28)/t16-/m0/s1
InChIKeyGAQMYXXCZHBJGH-INIZCTEOSA-N
XLogP3.04
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 27223796
N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 42930123
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 171691104
2-(3,5-dimethylpiperidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 17401562
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 109006520
2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4824447
N-(2-methoxyphenyl)-4-[[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 46801583
N-(5-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 46801664
N-(4-fluorophenyl)-2-[3-(trifluoromethyl)azetidin-1-yl]acetamide
CID 163357389
2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 61297774
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
N-(2,3-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 46801707

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide (CID 25329580) is N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide is CCN1CCN(c2ccc(NC(=O)CN3CCC[C@H](C(F)(F)F)C3)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide?
The InChIKey is GAQMYXXCZHBJGH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29F3N4O/c1-2-25-10-12-27(13-11-25)18-7-5-17(6-8-18)24-19(28)15-26-9-3-4-16(14-26)20(21,22)23/h5-8,16H,2-4,9-15H2,1H3,(H,24,28)/t16-/m0/s1.
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide?
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide has a molecular weight of 398.47 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 25329580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).