N,N-diethyl-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]piperidine-1-carboxamide

C23H33FN4O3 — CID 55721678

IUPACN,N-diethyl-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C23H33FN4O3/c1-3-25(4-2)23(31)28-11-9-19(10-12-28)22(30)27-15-13-26(14-16-27)21(29)17-18-5-7-20(24)8-6-18/h5-8,19H,3-4,9-17H2,1-2H3
InChIKeyHKVGGTGRDCQZOI-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.21
Rot. Bonds5

About N,N-diethyl-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]piperidine-1-carboxamide

N,N-diethyl-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 55721678) has the molecular formula C23H33FN4O3 and a molecular weight of 432.54 g/mol. Its IUPAC name is N,N-diethyl-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]piperidine-1-carboxamide
PubChem CID55721678
Molecular FormulaC23H33FN4O3
Molecular Weight432.54 g/mol
Exact Mass432.25
IUPAC NameN,N-diethyl-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C23H33FN4O3/c1-3-25(4-2)23(31)28-11-9-19(10-12-28)22(30)27-15-13-26(14-16-27)21(29)17-18-5-7-20(24)8-6-18/h5-8,19H,3-4,9-17H2,1-2H3
InChIKeyHKVGGTGRDCQZOI-UHFFFAOYSA-N
XLogP2.21
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-aminophenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 119718562
N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110365832
lithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 21304004
(3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 94028091
N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005666
N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113007926
N,N-diethyl-4-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 55683412
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
N,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide
CID 55447120
2-(4-fluorophenyl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone
CID 110725389
1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110365702
1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 87024437

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]piperidine-1-carboxamide (CID 55721678) is N,N-diethyl-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]piperidine-1-carboxamide is CCN(CC)C(=O)N1CCC(C(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)CC1.
What is the InChIKey of N,N-diethyl-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is HKVGGTGRDCQZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN4O3/c1-3-25(4-2)23(31)28-11-9-19(10-12-28)22(30)27-15-13-26(14-16-27)21(29)17-18-5-7-20(24)8-6-18/h5-8,19H,3-4,9-17H2,1-2H3.
What are the key properties of N,N-diethyl-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]piperidine-1-carboxamide?
N,N-diethyl-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 432.54 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 55721678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).