(3-bromophenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone

C16H24BrN3O — CID 113073783

IUPAC(3-bromophenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone
SMILESCN(C)CCCN1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C16H24BrN3O/c1-18(2)7-4-8-19-9-11-20(12-10-19)16(21)14-5-3-6-15(17)13-14/h3,5-6,13H,4,7-12H2,1-2H3
InChIKeyQDVLJNKJGZMTDX-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.16
Rot. Bonds5

About (3-bromophenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone

(3-bromophenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone (PubChem CID 113073783) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is (3-bromophenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone
PubChem CID113073783
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name(3-bromophenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone
SMILESCN(C)CCCN1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C16H24BrN3O/c1-18(2)7-4-8-19-9-11-20(12-10-19)16(21)14-5-3-6-15(17)13-14/h3,5-6,13H,4,7-12H2,1-2H3
InChIKeyQDVLJNKJGZMTDX-UHFFFAOYSA-N
XLogP2.16
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[3-(dimethylamino)propyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 113073778
1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-(dimethylamino)propan-1-one
CID 110603342
(3-bromophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 95753438
(3,4-dimethoxyphenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone
CID 113073794
(3-amino-4-bromophenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 62884852
4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 75460696
(4-bromo-2-hydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 62890375
2-[4-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 47110866
[4-[3-(dimethylamino)propyl]piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 44523934
(3-bromophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 90533249
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
2-[4-(3-bromobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440312

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone (CID 113073783) is (3-bromophenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone is CN(C)CCCN1CCN(C(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of (3-bromophenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone?
The InChIKey is QDVLJNKJGZMTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-18(2)7-4-8-19-9-11-20(12-10-19)16(21)14-5-3-6-15(17)13-14/h3,5-6,13H,4,7-12H2,1-2H3.
What are the key properties of (3-bromophenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone?
(3-bromophenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone has a molecular weight of 354.29 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 113073783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).