4-(4-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide

C17H24FN3O2 — CID 134006673

IUPAC4-(4-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CCCO1
InChIInChI=1S/C17H24FN3O2/c1-13(16-3-2-12-23-16)19-17(22)21-10-8-20(9-11-21)15-6-4-14(18)5-7-15/h4-7,13,16H,2-3,8-12H2,1H3,(H,19,22)
InChIKeyMPWXEIHGHZXPAC-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.22
Rot. Bonds3

About 4-(4-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide

4-(4-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide (PubChem CID 134006673) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide
PubChem CID134006673
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name4-(4-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CCCO1
InChIInChI=1S/C17H24FN3O2/c1-13(16-3-2-12-23-16)19-17(22)21-10-8-20(9-11-21)15-6-4-14(18)5-7-15/h4-7,13,16H,2-3,8-12H2,1H3,(H,19,22)
InChIKeyMPWXEIHGHZXPAC-UHFFFAOYSA-N
XLogP2.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide
CID 134006709
4-(4-fluorophenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 53370215
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 52900769
[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 3513759
(3R)-1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119882
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-morpholin-4-ylbenzamide
CID 95047787
4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide
CID 60547818
3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-propan-2-ylpropanamide
CID 108957222
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
N-[1-(oxolan-2-yl)ethyl]-3-pyrrolidin-1-ylazepane-1-carboxamide
CID 75370112
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 60547964
(3S)-2-(4-fluorophenyl)-5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 94171786

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide (CID 134006673) is 4-(4-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide is CC(NC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CCCO1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is MPWXEIHGHZXPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-13(16-3-2-12-23-16)19-17(22)21-10-8-20(9-11-21)15-6-4-14(18)5-7-15/h4-7,13,16H,2-3,8-12H2,1H3,(H,19,22).
What are the key properties of 4-(4-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide?
4-(4-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 134006673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).