N'-[2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-2-(4-fluorophenyl)acetyl]cyclopropanecarbohydrazide

C18H25FN4O2 — CID 146529804

IUPACN'-[2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-2-(4-fluorophenyl)acetyl]cyclopropanecarbohydrazide
SMILESC[C@@H]1CN[C@@H](C)CN1C(C(=O)NNC(=O)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C18H25FN4O2/c1-11-10-23(12(2)9-20-11)16(13-5-7-15(19)8-6-13)18(25)22-21-17(24)14-3-4-14/h5-8,11-12,14,16,20H,3-4,9-10H2,1-2H3,(H,21,24)(H,22,25)/t11-,12+,16?/m0/s1
InChIKeyWHOPLFOHPMBXBK-QXNREYOVSA-N
MW348.42 g/mol
LogP1.11
Rot. Bonds4

About N'-[2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-2-(4-fluorophenyl)acetyl]cyclopropanecarbohydrazide

N'-[2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-2-(4-fluorophenyl)acetyl]cyclopropanecarbohydrazide (PubChem CID 146529804) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is N'-[2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-2-(4-fluorophenyl)acetyl]cyclopropanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-2-(4-fluorophenyl)acetyl]cyclopropanecarbohydrazide
PubChem CID146529804
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC NameN'-[2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-2-(4-fluorophenyl)acetyl]cyclopropanecarbohydrazide
SMILESC[C@@H]1CN[C@@H](C)CN1C(C(=O)NNC(=O)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C18H25FN4O2/c1-11-10-23(12(2)9-20-11)16(13-5-7-15(19)8-6-13)18(25)22-21-17(24)14-3-4-14/h5-8,11-12,14,16,20H,3-4,9-10H2,1-2H3,(H,21,24)(H,22,25)/t11-,12+,16?/m0/s1
InChIKeyWHOPLFOHPMBXBK-QXNREYOVSA-N
XLogP1.11
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.11
H-Bond Donors ≤ 53
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 N'-[2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-2-(4-fluorophenyl)acetyl]cyclopropanecarbohydrazide?
The IUPAC name of N'-[2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-2-(4-fluorophenyl)acetyl]cyclopropanecarbohydrazide (CID 146529804) is N'-[2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-2-(4-fluorophenyl)acetyl]cyclopropanecarbohydrazide.
What is the SMILES notation for N'-[2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-2-(4-fluorophenyl)acetyl]cyclopropanecarbohydrazide?
The canonical SMILES for N'-[2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-2-(4-fluorophenyl)acetyl]cyclopropanecarbohydrazide is C[C@@H]1CN[C@@H](C)CN1C(C(=O)NNC(=O)C1CC1)c1ccc(F)cc1.
What is the InChIKey of N'-[2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-2-(4-fluorophenyl)acetyl]cyclopropanecarbohydrazide?
The InChIKey is WHOPLFOHPMBXBK-QXNREYOVSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-11-10-23(12(2)9-20-11)16(13-5-7-15(19)8-6-13)18(25)22-21-17(24)14-3-4-14/h5-8,11-12,14,16,20H,3-4,9-10H2,1-2H3,(H,21,24)(H,22,25)/t11-,12+,16?/m0/s1.
What are the key properties of N'-[2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-2-(4-fluorophenyl)acetyl]cyclopropanecarbohydrazide?
N'-[2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-2-(4-fluorophenyl)acetyl]cyclopropanecarbohydrazide has a molecular weight of 348.42 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-2-(4-fluorophenyl)acetyl]cyclopropanecarbohydrazide is sourced from PubChem (CID 146529804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).