4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynylpiperazine-1-carboxamide

C16H18FN3O2 — CID 17445710

IUPAC4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynylpiperazine-1-carboxamide
SMILESC#CCNC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1
InChIInChI=1S/C16H18FN3O2/c1-3-6-18-16(22)20-9-7-19(8-10-20)15-5-4-13(12(2)21)11-14(15)17/h1,4-5,11H,6-10H2,2H3,(H,18,22)
InChIKeyWBVDQPZGEAISFP-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.49
Rot. Bonds3

About 4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynylpiperazine-1-carboxamide

4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynylpiperazine-1-carboxamide (PubChem CID 17445710) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynylpiperazine-1-carboxamide
PubChem CID17445710
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynylpiperazine-1-carboxamide
SMILESC#CCNC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1
InChIInChI=1S/C16H18FN3O2/c1-3-6-18-16(22)20-9-7-19(8-10-20)15-5-4-13(12(2)21)11-14(15)17/h1,4-5,11H,6-10H2,2H3,(H,18,22)
InChIKeyWBVDQPZGEAISFP-UHFFFAOYSA-N
XLogP1.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-acetyl-2-fluorophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 17407851
4-(4-acetyl-2-fluorophenyl)-N-(2-chlorophenyl)piperazine-1-carboxamide
CID 51250482
4-(4-acetyl-2-fluorophenyl)-N-(6-methylheptan-2-yl)piperazine-1-carboxamide
CID 42954156
4-(4-acetyl-2-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 112837390
4-(4-acetyl-2-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27534721
4-(4-acetyl-2-fluorophenyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carboxamide
CID 55795804
(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride
CID 119836978
4-(4-acetyl-2-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide
CID 55793977
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride
CID 119836972
4-(4-acetyl-2-fluorophenyl)-N-[3-(1H-benzimidazol-2-yl)propyl]piperazine-1-carboxamide
CID 24612804
1-[4-[4-(1,5-dimethylpyrrole-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 31668550
1-[4-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 24552330

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynylpiperazine-1-carboxamide (CID 17445710) is 4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynylpiperazine-1-carboxamide is C#CCNC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1.
What is the InChIKey of 4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynylpiperazine-1-carboxamide?
The InChIKey is WBVDQPZGEAISFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-3-6-18-16(22)20-9-7-19(8-10-20)15-5-4-13(12(2)21)11-14(15)17/h1,4-5,11H,6-10H2,2H3,(H,18,22).
What are the key properties of 4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynylpiperazine-1-carboxamide?
4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynylpiperazine-1-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynylpiperazine-1-carboxamide is sourced from PubChem (CID 17445710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).