N-(2-fluorophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide

C15H22FN3O2 — CID 95151911

IUPACN-(2-fluorophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
SMILESCOC[C@@H](C)N1CCN(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C15H22FN3O2/c1-12(11-21-2)18-7-9-19(10-8-18)15(20)17-14-6-4-3-5-13(14)16/h3-6,12H,7-11H2,1-2H3,(H,17,20)/t12-/m1/s1
InChIKeyGFLSDDDMTROUCQ-GFCCVEGCSA-N
MW295.36 g/mol
LogP2.01
Rot. Bonds4

About N-(2-fluorophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide

N-(2-fluorophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide (PubChem CID 95151911) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
PubChem CID95151911
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-(2-fluorophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
SMILESCOC[C@@H](C)N1CCN(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C15H22FN3O2/c1-12(11-21-2)18-7-9-19(10-8-18)15(20)17-14-6-4-3-5-13(14)16/h3-6,12H,7-11H2,1-2H3,(H,17,20)/t12-/m1/s1
InChIKeyGFLSDDDMTROUCQ-GFCCVEGCSA-N
XLogP2.01
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-1-methoxypropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 95150226
N-(2-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185460
N-[2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide
CID 166141535
N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95333968
N-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184554
N-(2-fluorophenyl)-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide
CID 62885016
4-[(2R)-1-methoxypropan-2-yl]-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 95154450
N-(2-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72863104
4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113111831
N-(2-fluorophenyl)-4-(2-methoxyethyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 91920547
methyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate
CID 47258210
N-(2-fluorophenyl)-4-(3-phenoxypropanoyl)-1,4-diazepane-1-carboxamide
CID 138381456

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide (CID 95151911) is N-(2-fluorophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide is COC[C@@H](C)N1CCN(C(=O)Nc2ccccc2F)CC1.
What is the InChIKey of N-(2-fluorophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide?
The InChIKey is GFLSDDDMTROUCQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-12(11-21-2)18-7-9-19(10-8-18)15(20)17-14-6-4-3-5-13(14)16/h3-6,12H,7-11H2,1-2H3,(H,17,20)/t12-/m1/s1.
What are the key properties of N-(2-fluorophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide?
N-(2-fluorophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 95151911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).