3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea

C16H24N4O2 — CID 110397809

IUPAC3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C16H24N4O2/c1-18(2)16(22)17-8-9-19-10-12-20(13-11-19)15(21)14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,17,22)
InChIKeyJTAMWXVZQZUSKB-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.72
Rot. Bonds4

About 3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea

3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea (PubChem CID 110397809) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea
PubChem CID110397809
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C16H24N4O2/c1-18(2)16(22)17-8-9-19-10-12-20(13-11-19)15(21)14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,17,22)
InChIKeyJTAMWXVZQZUSKB-UHFFFAOYSA-N
XLogP0.72
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-benzoylpiperazin-1-yl)propanoic acid
CID 2050697
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide
CID 110397771
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-(4-chlorophenyl)acetamide
CID 110397785
1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 154800157
4-benzoyl-N,N-dimethylpiperazine-1-carboxamide
CID 1121209
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 63308450
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110397782
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 86768049
[4-(3-chloropropyl)piperazin-1-yl]-phenylmethanone
CID 53486748
4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride
CID 138111121
4-N-[2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]ethyl]benzene-1,4-dicarboxamide
CID 166208512
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110397830

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea (CID 110397809) is 3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCN1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea?
The InChIKey is JTAMWXVZQZUSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-18(2)16(22)17-8-9-19-10-12-20(13-11-19)15(21)14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,17,22).
What are the key properties of 3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea?
3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea has a molecular weight of 304.39 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea is sourced from PubChem (CID 110397809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).