4-(4-acetyl-2-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide

C26H34FN5O2 — CID 112837390

IUPAC4-(4-acetyl-2-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)NCCCN3CCN(c4ccccc4)CC3)CC2)c(F)c1
InChIInChI=1S/C26H34FN5O2/c1-21(33)22-8-9-25(24(27)20-22)31-16-18-32(19-17-31)26(34)28-10-5-11-29-12-14-30(15-13-29)23-6-3-2-4-7-23/h2-4,6-9,20H,5,10-19H2,1H3,(H,28,34)
InChIKeyOBFLWNUSPBFEPS-UHFFFAOYSA-N
MW467.59 g/mol
LogP3.07
Rot. Bonds7

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

4-(4-acetyl-2-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide (PubChem CID 112837390) has the molecular formula C26H34FN5O2 and a molecular weight of 467.59 g/mol. Its IUPAC name is 4-(4-acetyl-2-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetyl-2-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
PubChem CID112837390
Molecular FormulaC26H34FN5O2
Molecular Weight467.59 g/mol
Exact Mass467.27
IUPAC Name4-(4-acetyl-2-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)NCCCN3CCN(c4ccccc4)CC3)CC2)c(F)c1
InChIInChI=1S/C26H34FN5O2/c1-21(33)22-8-9-25(24(27)20-22)31-16-18-32(19-17-31)26(34)28-10-5-11-29-12-14-30(15-13-29)23-6-3-2-4-7-23/h2-4,6-9,20H,5,10-19H2,1H3,(H,28,34)
InChIKeyOBFLWNUSPBFEPS-UHFFFAOYSA-N
XLogP3.07
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 53.07
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-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 112837389
N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide
CID 14763453
4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynylpiperazine-1-carboxamide
CID 17445710
4-(4-acetyl-2-fluorophenyl)-N-[3-(1H-benzimidazol-2-yl)propyl]piperazine-1-carboxamide
CID 24612804
4-(4-acetyl-2-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide
CID 55793977
4-(4-acetylpiperazin-1-yl)-3-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55638705
4-(3-acetylphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110202
3-fluoro-4-(4-phenylpiperazin-1-yl)benzoic acid
CID 43826185
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
4-(4-acetyl-2-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27534721
4-(4-acetyl-2-fluorophenyl)-N-(2-chlorophenyl)piperazine-1-carboxamide
CID 51250482

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-acetyl-2-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide (CID 112837390) is 4-(4-acetyl-2-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-acetyl-2-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-acetyl-2-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide is CC(=O)c1ccc(N2CCN(C(=O)NCCCN3CCN(c4ccccc4)CC3)CC2)c(F)c1.
What is the InChIKey of 4-(4-acetyl-2-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide?
The InChIKey is OBFLWNUSPBFEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN5O2/c1-21(33)22-8-9-25(24(27)20-22)31-16-18-32(19-17-31)26(34)28-10-5-11-29-12-14-30(15-13-29)23-6-3-2-4-7-23/h2-4,6-9,20H,5,10-19H2,1H3,(H,28,34).
What are the key properties of 4-(4-acetyl-2-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide?
4-(4-acetyl-2-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide has a molecular weight of 467.59 g/mol, XLogP of 3.07, 7 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-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 112837390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).