4-(diethylamino)-N'-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]benzohydrazide

C19H27F3N4O2 — CID 17467918

IUPAC4-(diethylamino)-N'-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)CN2CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C19H27F3N4O2/c1-3-26(4-2)16-9-7-14(8-10-16)18(28)24-23-17(27)13-25-11-5-6-15(12-25)19(20,21)22/h7-10,15H,3-6,11-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyJGOIQUKNVGZYDJ-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.57
Rot. Bonds6

About 4-(diethylamino)-N'-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]benzohydrazide

4-(diethylamino)-N'-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]benzohydrazide (PubChem CID 17467918) has the molecular formula C19H27F3N4O2 and a molecular weight of 400.45 g/mol. Its IUPAC name is 4-(diethylamino)-N'-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-(diethylamino)-N'-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]benzohydrazide
PubChem CID17467918
Molecular FormulaC19H27F3N4O2
Molecular Weight400.45 g/mol
Exact Mass400.21
IUPAC Name4-(diethylamino)-N'-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)CN2CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C19H27F3N4O2/c1-3-26(4-2)16-9-7-14(8-10-16)18(28)24-23-17(27)13-25-11-5-6-15(12-25)19(20,21)22/h7-10,15H,3-6,11-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyJGOIQUKNVGZYDJ-UHFFFAOYSA-N
XLogP2.57
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N'-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]benzohydrazide?
The IUPAC name of 4-(diethylamino)-N'-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]benzohydrazide (CID 17467918) is 4-(diethylamino)-N'-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]benzohydrazide.
What is the SMILES notation for 4-(diethylamino)-N'-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]benzohydrazide?
The canonical SMILES for 4-(diethylamino)-N'-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]benzohydrazide is CCN(CC)c1ccc(C(=O)NNC(=O)CN2CCCC(C(F)(F)F)C2)cc1.
What is the InChIKey of 4-(diethylamino)-N'-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]benzohydrazide?
The InChIKey is JGOIQUKNVGZYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O2/c1-3-26(4-2)16-9-7-14(8-10-16)18(28)24-23-17(27)13-25-11-5-6-15(12-25)19(20,21)22/h7-10,15H,3-6,11-13H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 4-(diethylamino)-N'-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]benzohydrazide?
4-(diethylamino)-N'-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]benzohydrazide has a molecular weight of 400.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N'-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]benzohydrazide is sourced from PubChem (CID 17467918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).