4-(4-acetyl-2-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide

C21H26FN3O4 — CID 55793977

IUPAC4-(4-acetyl-2-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)NCCCOCc3ccco3)CC2)c(F)c1
InChIInChI=1S/C21H26FN3O4/c1-16(26)17-5-6-20(19(22)14-17)24-8-10-25(11-9-24)21(27)23-7-3-12-28-15-18-4-2-13-29-18/h2,4-6,13-14H,3,7-12,15H2,1H3,(H,23,27)
InChIKeyUPNJDKLRIMEEOM-UHFFFAOYSA-N
MW403.45 g/mol
LogP3.06
Rot. Bonds8

About 4-(4-acetyl-2-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide

4-(4-acetyl-2-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide (PubChem CID 55793977) has the molecular formula C21H26FN3O4 and a molecular weight of 403.45 g/mol. Its IUPAC name is 4-(4-acetyl-2-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetyl-2-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide
PubChem CID55793977
Molecular FormulaC21H26FN3O4
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC Name4-(4-acetyl-2-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)NCCCOCc3ccco3)CC2)c(F)c1
InChIInChI=1S/C21H26FN3O4/c1-16(26)17-5-6-20(19(22)14-17)24-8-10-25(11-9-24)21(27)23-7-3-12-28-15-18-4-2-13-29-18/h2,4-6,13-14H,3,7-12,15H2,1H3,(H,23,27)
InChIKeyUPNJDKLRIMEEOM-UHFFFAOYSA-N
XLogP3.06
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 112837390
4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynylpiperazine-1-carboxamide
CID 17445710
4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide
CID 63213455
4-(4-acetyl-2-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27534721
4-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide
CID 55793914
4-(4-acetyl-2-fluorophenyl)-N-[3-(1H-benzimidazol-2-yl)propyl]piperazine-1-carboxamide
CID 24612804
4-(azepan-1-ylmethyl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
CID 55794043
3-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
CID 86843944
N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide
CID 78832996
N'-(2,4-difluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide
CID 86996640
4-(4-acetyl-2-fluorophenyl)-N-(6-methylheptan-2-yl)piperazine-1-carboxamide
CID 42954156

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-acetyl-2-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide (CID 55793977) is 4-(4-acetyl-2-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-acetyl-2-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-acetyl-2-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide is CC(=O)c1ccc(N2CCN(C(=O)NCCCOCc3ccco3)CC2)c(F)c1.
What is the InChIKey of 4-(4-acetyl-2-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide?
The InChIKey is UPNJDKLRIMEEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O4/c1-16(26)17-5-6-20(19(22)14-17)24-8-10-25(11-9-24)21(27)23-7-3-12-28-15-18-4-2-13-29-18/h2,4-6,13-14H,3,7-12,15H2,1H3,(H,23,27).
What are the key properties of 4-(4-acetyl-2-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide?
4-(4-acetyl-2-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 55793977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).