4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;hydrochloride

C17H25ClFN3O2 — CID 71783433

IUPAC4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(F)cc1)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C17H24FN3O2.ClH/c18-15-5-1-13(2-6-15)11-19-17(23)21-9-7-20(8-10-21)12-16(22)14-3-4-14;/h1-2,5-6,14,16,22H,3-4,7-12H2,(H,19,23);1H
InChIKeySDLOATARSJHYPY-UHFFFAOYSA-N
MW357.86 g/mol
LogP1.85
Rot. Bonds5

About 4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;hydrochloride

4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;hydrochloride (PubChem CID 71783433) has the molecular formula C17H25ClFN3O2 and a molecular weight of 357.86 g/mol. Its IUPAC name is 4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;hydrochloride
PubChem CID71783433
Molecular FormulaC17H25ClFN3O2
Molecular Weight357.86 g/mol
Exact Mass357.16
IUPAC Name4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(F)cc1)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C17H24FN3O2.ClH/c18-15-5-1-13(2-6-15)11-19-17(23)21-9-7-20(8-10-21)12-16(22)14-3-4-14;/h1-2,5-6,14,16,22H,3-4,7-12H2,(H,19,23);1H
InChIKeySDLOATARSJHYPY-UHFFFAOYSA-N
XLogP1.85
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(2-hydroxyethyl)-1-piperazinecarboxamide
CID 6457755
N-benzyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 24748367
N-(1-benzylpiperidin-4-yl)-3-hydroxypiperidine-1-carboxamide
CID 47023586
1-(4-Fluorobenzyl)-3-((1-(hydroxymethyl)cyclopropyl)methyl)urea
CID 49670992
3-(2-Cyclohexyl-2-hydroxyethyl)-1-[(4-fluorophenyl)methyl]urea
CID 56764368
N-benzyl-2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]acetamide
CID 71783281
2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 71783283
2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 71783295
1-Cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol
CID 71783303
1-Cyclopropyl-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol
CID 71783305
1-Cyclopropyl-2-(4-(2,5-difluorobenzyl)piperazin-1-yl)ethanol dihydrochloride
CID 71783316
1-Cyclopropyl-2-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]ethanol
CID 71783317

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;hydrochloride?
The IUPAC name of 4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;hydrochloride (CID 71783433) is 4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;hydrochloride is Cl.O=C(NCc1ccc(F)cc1)N1CCN(CC(O)C2CC2)CC1.
What is the InChIKey of 4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;hydrochloride?
The InChIKey is SDLOATARSJHYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2.ClH/c18-15-5-1-13(2-6-15)11-19-17(23)21-9-7-20(8-10-21)12-16(22)14-3-4-14;/h1-2,5-6,14,16,22H,3-4,7-12H2,(H,19,23);1H.
What are the key properties of 4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;hydrochloride?
4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;hydrochloride has a molecular weight of 357.86 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 71783433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).