N-[(4-fluorophenyl)methyl]-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide

C17H24FN3O2 — CID 56916075

IUPACN-[(4-fluorophenyl)methyl]-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
SMILESCC(C)CN1CCN(C(=O)NCc2ccc(F)cc2)C(C)C1=O
InChIInChI=1S/C17H24FN3O2/c1-12(2)11-20-8-9-21(13(3)16(20)22)17(23)19-10-14-4-6-15(18)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,19,23)
InChIKeyWNJSWAVRPYDWFD-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.22
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide

N-[(4-fluorophenyl)methyl]-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide (PubChem CID 56916075) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
PubChem CID56916075
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC NameN-[(4-fluorophenyl)methyl]-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
SMILESCC(C)CN1CCN(C(=O)NCc2ccc(F)cc2)C(C)C1=O
InChIInChI=1S/C17H24FN3O2/c1-12(2)11-20-8-9-21(13(3)16(20)22)17(23)19-10-14-4-6-15(18)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,19,23)
InChIKeyWNJSWAVRPYDWFD-UHFFFAOYSA-N
XLogP2.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 ≤ 102

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Related Compounds

4-[[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]amino]butanoic acid
CID 122022741
N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 110746863
N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 72862130
N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide
CID 71783480
1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425178
3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one
CID 139009969
1-ethyl-N-[(4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 22510864
4-[1-(difluoromethyl)pyrazole-3-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 139009579
4-[[[4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122020724
2-methyl-4-[(4-methylphenyl)methyl]-N-[(2-methyl-4-pyridinyl)methyl]-3-oxopiperazine-1-carboxamide
CID 122556170
4-[4-(hydroxymethyl)pyridine-2-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 91784309
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide (CID 56916075) is N-[(4-fluorophenyl)methyl]-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide is CC(C)CN1CCN(C(=O)NCc2ccc(F)cc2)C(C)C1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide?
The InChIKey is WNJSWAVRPYDWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-12(2)11-20-8-9-21(13(3)16(20)22)17(23)19-10-14-4-6-15(18)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,19,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 56916075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).