1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-(dimethylamino)propan-1-one

C16H22BrN3O2 — CID 110603342

IUPAC1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-(dimethylamino)propan-1-one
SMILESCN(C)CCC(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C16H22BrN3O2/c1-18(2)7-6-15(21)19-8-10-20(11-9-19)16(22)13-4-3-5-14(17)12-13/h3-5,12H,6-11H2,1-2H3
InChIKeyJNXCGTXTZZHRTN-UHFFFAOYSA-N
MW368.28 g/mol
LogP1.69
Rot. Bonds4

About 1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-(dimethylamino)propan-1-one

1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-(dimethylamino)propan-1-one (PubChem CID 110603342) has the molecular formula C16H22BrN3O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is 1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-(dimethylamino)propan-1-one.

Molecular Properties

Compound Name1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-(dimethylamino)propan-1-one
PubChem CID110603342
Molecular FormulaC16H22BrN3O2
Molecular Weight368.28 g/mol
Exact Mass367.09
IUPAC Name1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-(dimethylamino)propan-1-one
SMILESCN(C)CCC(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C16H22BrN3O2/c1-18(2)7-6-15(21)19-8-10-20(11-9-19)16(22)13-4-3-5-14(17)12-13/h3-5,12H,6-11H2,1-2H3
InChIKeyJNXCGTXTZZHRTN-UHFFFAOYSA-N
XLogP1.69
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-[3-(dimethylamino)propanoyl]piperazine-1-carbonyl]phenyl]acetamide
CID 110666185
1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-chloropropan-1-one
CID 108568007
3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110603347
(3-bromophenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone
CID 113073783
1-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]pentane-1,4-dione
CID 108545336
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 60776283
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone
CID 110364856
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
2-[4-(3-bromobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440312
1-(3-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005883
3-(dimethylamino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110603348
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55656852

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-(dimethylamino)propan-1-one?
The IUPAC name of 1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-(dimethylamino)propan-1-one (CID 110603342) is 1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-(dimethylamino)propan-1-one.
What is the SMILES notation for 1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-(dimethylamino)propan-1-one?
The canonical SMILES for 1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-(dimethylamino)propan-1-one is CN(C)CCC(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-(dimethylamino)propan-1-one?
The InChIKey is JNXCGTXTZZHRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O2/c1-18(2)7-6-15(21)19-8-10-20(11-9-19)16(22)13-4-3-5-14(17)12-13/h3-5,12H,6-11H2,1-2H3.
What are the key properties of 1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-(dimethylamino)propan-1-one?
1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-(dimethylamino)propan-1-one has a molecular weight of 368.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-(dimethylamino)propan-1-one is sourced from PubChem (CID 110603342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).