N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide

C24H37FN4O2 — CID 171143845

IUPACN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCC(C)CN1C(=O)CCC(C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)C1C
InChIInChI=1S/C24H37FN4O2/c1-18(2)17-29-19(3)22(9-10-23(29)30)24(31)26-11-4-12-27-13-15-28(16-14-27)21-7-5-20(25)6-8-21/h5-8,18-19,22H,4,9-17H2,1-3H3,(H,26,31)
InChIKeyRAEXVFPHRFKRSB-UHFFFAOYSA-N
MW432.58 g/mol
LogP2.74
Rot. Bonds8

About N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 171143845) has the molecular formula C24H37FN4O2 and a molecular weight of 432.58 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID171143845
Molecular FormulaC24H37FN4O2
Molecular Weight432.58 g/mol
Exact Mass432.29
IUPAC NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCC(C)CN1C(=O)CCC(C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)C1C
InChIInChI=1S/C24H37FN4O2/c1-18(2)17-29-19(3)22(9-10-23(29)30)24(31)26-11-4-12-27-13-15-28(16-14-27)21-7-5-20(25)6-8-21/h5-8,18-19,22H,4,9-17H2,1-3H3,(H,26,31)
InChIKeyRAEXVFPHRFKRSB-UHFFFAOYSA-N
XLogP2.74
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.58
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-2-methyl-6-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 171143787
N'-cyclopropyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390559
2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 15994143
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 29401175
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea
CID 20924472
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119902206
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-3-(methylamino)propanamide;trihydrochloride
CID 119902213
(2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide
CID 97064291
4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224820
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(4-methylphenyl)oxamide
CID 42390454
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 109012594
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 34993291

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide (CID 171143845) is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide is CC(C)CN1C(=O)CCC(C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)C1C.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is RAEXVFPHRFKRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37FN4O2/c1-18(2)17-29-19(3)22(9-10-23(29)30)24(31)26-11-4-12-27-13-15-28(16-14-27)21-7-5-20(25)6-8-21/h5-8,18-19,22H,4,9-17H2,1-3H3,(H,26,31).
What are the key properties of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide?
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 432.58 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 171143845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).