N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-fluorophenyl]acetamide

C17H22FN3O2 — CID 47070444

IUPACN-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCN(CC3CC3)CC2)ccc1F
InChIInChI=1S/C17H22FN3O2/c1-12(22)19-16-10-14(4-5-15(16)18)17(23)21-8-6-20(7-9-21)11-13-2-3-13/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,19,22)
InChIKeyJOHFEJKCVSYUDG-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.95
Rot. Bonds4

About N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-fluorophenyl]acetamide

N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-fluorophenyl]acetamide (PubChem CID 47070444) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-fluorophenyl]acetamide
PubChem CID47070444
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC NameN-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCN(CC3CC3)CC2)ccc1F
InChIInChI=1S/C17H22FN3O2/c1-12(22)19-16-10-14(4-5-15(16)18)17(23)21-8-6-20(7-9-21)11-13-2-3-13/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,19,22)
InChIKeyJOHFEJKCVSYUDG-UHFFFAOYSA-N
XLogP1.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-acetamido-4-fluorobenzoyl)piperidine-4-carboxylic acid
CID 119166168
(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930485
(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930484
[4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 47025111
(3-amino-2,6-difluorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 79759552
1-(3-acetamido-4-fluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 56804963
N-[5-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]-2-methylphenyl]acetamide
CID 87034454
N-[2-fluoro-5-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 119544105
[4-(cyclopropylmethyl)piperazin-1-yl]-[6-(ethylamino)-3-pyridinyl]methanone
CID 62176965
N-(2,5-difluorophenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35228132
4-acetyl-N-[[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide
CID 55957914
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(3-iodophenyl)methanone
CID 95751596

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-fluorophenyl]acetamide (CID 47070444) is N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-fluorophenyl]acetamide is CC(=O)Nc1cc(C(=O)N2CCN(CC3CC3)CC2)ccc1F.
What is the InChIKey of N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-fluorophenyl]acetamide?
The InChIKey is JOHFEJKCVSYUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-12(22)19-16-10-14(4-5-15(16)18)17(23)21-8-6-20(7-9-21)11-13-2-3-13/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,19,22).
What are the key properties of N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-fluorophenyl]acetamide?
N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-fluorophenyl]acetamide has a molecular weight of 319.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-fluorophenyl]acetamide is sourced from PubChem (CID 47070444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).