2-[4-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide

C23H33BrN4O3 — CID 42123655

IUPAC2-[4-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1
InChIInChI=1S/C23H33BrN4O3/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
InChIKeyHEXVUGQWRWWVRM-UHFFFAOYSA-N
MW493.45 g/mol
LogP2.31
Rot. Bonds6

About 2-[4-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide

2-[4-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide (PubChem CID 42123655) has the molecular formula C23H33BrN4O3 and a molecular weight of 493.45 g/mol. Its IUPAC name is 2-[4-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
PubChem CID42123655
Molecular FormulaC23H33BrN4O3
Molecular Weight493.45 g/mol
Exact Mass492.17
IUPAC Name2-[4-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1
InChIInChI=1S/C23H33BrN4O3/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
InChIKeyHEXVUGQWRWWVRM-UHFFFAOYSA-N
XLogP2.31
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.45
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide
CID 55447120
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-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperidin-4-one
CID 127269784
2-[4-[4-(dimethylsulfamoyl)benzoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 24533336
N,N-diethyl-2-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 55634289
2-[4-(4-bromobenzoyl)piperazin-1-yl]acetic acid
CID 43521570
[1-(4-bromobenzoyl)piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 51293210
[1-(4-bromobenzoyl)piperidin-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 166234051
2-[4-(3,4-dimethylbenzoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 136576533
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
N,N-diethyl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119837527

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide (CID 42123655) is 2-[4-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1.
What is the InChIKey of 2-[4-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide?
The InChIKey is HEXVUGQWRWWVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33BrN4O3/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 2-[4-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide?
2-[4-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 493.45 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 42123655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).