(2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone

C17H22BrN3O2 — CID 18152970

IUPAC(2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H22BrN3O2/c18-15-7-3-2-6-14(15)16(22)19-10-12-21(13-11-19)17(23)20-8-4-1-5-9-20/h2-3,6-7H,1,4-5,8-13H2
InChIKeyJCIHFUPSUAXMLK-UHFFFAOYSA-N
MW380.29 g/mol
LogP2.81
Rot. Bonds1

About (2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone

(2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone (PubChem CID 18152970) has the molecular formula C17H22BrN3O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is (2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
PubChem CID18152970
Molecular FormulaC17H22BrN3O2
Molecular Weight380.29 g/mol
Exact Mass379.09
IUPAC Name(2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H22BrN3O2/c18-15-7-3-2-6-14(15)16(22)19-10-12-21(13-11-19)17(23)20-8-4-1-5-9-20/h2-3,6-7H,1,4-5,8-13H2
InChIKeyJCIHFUPSUAXMLK-UHFFFAOYSA-N
XLogP2.81
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-bromobenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 38460982
[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141
[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 36802255
(2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60954591
(2-bromophenyl)-(1,4-diazepan-1-yl)methanone
CID 16771837
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110422478
1-(2-bromobenzoyl)piperidine-3-carboxamide
CID 24692766
1-(2-bromophenyl)-2-piperidin-1-ylethane-1,2-dione
CID 101445164
1-[4-(2-bromobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817935
1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one
CID 52867615
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone (CID 18152970) is (2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone is O=C(c1ccccc1Br)N1CCN(C(=O)N2CCCCC2)CC1.
What is the InChIKey of (2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
The InChIKey is JCIHFUPSUAXMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O2/c18-15-7-3-2-6-14(15)16(22)19-10-12-21(13-11-19)17(23)20-8-4-1-5-9-20/h2-3,6-7H,1,4-5,8-13H2.
What are the key properties of (2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
(2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone has a molecular weight of 380.29 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 18152970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).