N,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide

C23H33FN4O3 — CID 55447120

IUPACN,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C23H33FN4O3/c1-3-26(4-2)21(29)17-25-13-15-28(16-14-25)23(31)19-9-11-27(12-10-19)22(30)18-5-7-20(24)8-6-18/h5-8,19H,3-4,9-17H2,1-2H3
InChIKeyVFZCFCJHLGKZIK-UHFFFAOYSA-N
MW432.54 g/mol
LogP1.69
Rot. Bonds6

About N,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide

N,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide (PubChem CID 55447120) has the molecular formula C23H33FN4O3 and a molecular weight of 432.54 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide
PubChem CID55447120
Molecular FormulaC23H33FN4O3
Molecular Weight432.54 g/mol
Exact Mass432.25
IUPAC NameN,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C23H33FN4O3/c1-3-26(4-2)21(29)17-25-13-15-28(16-14-25)23(31)19-9-11-27(12-10-19)22(30)18-5-7-20(24)8-6-18/h5-8,19H,3-4,9-17H2,1-2H3
InChIKeyVFZCFCJHLGKZIK-UHFFFAOYSA-N
XLogP1.69
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 42123655
1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 87024437
N,N-diethyl-2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 55603086
N,N-diethyl-4-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 55683412
1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166405547
1-(azepan-1-yl)-2-[4-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 55466088
(4-fluorophenyl)-[4-(2-methylprop-2-enyl)piperazin-1-yl]methanone
CID 47002075
1-(4-fluorobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 17223883
ethyl 1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 55345207
2-[4-[4-(dimethylsulfamoyl)benzoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 24533336
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
CID 126023047
N,N-diethyl-2-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 55634289

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide (CID 55447120) is N,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide is CCN(CC)C(=O)CN1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is VFZCFCJHLGKZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN4O3/c1-3-26(4-2)21(29)17-25-13-15-28(16-14-25)23(31)19-9-11-27(12-10-19)22(30)18-5-7-20(24)8-6-18/h5-8,19H,3-4,9-17H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide?
N,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 432.54 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55447120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).