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

C17H22BrN3O2 — CID 1302053

IUPAC(3-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H22BrN3O2/c18-15-6-4-5-14(13-15)16(22)19-9-11-21(12-10-19)17(23)20-7-2-1-3-8-20/h4-6,13H,1-3,7-12H2
InChIKeyBPLKODUOLYISEX-UHFFFAOYSA-N
MW380.29 g/mol
LogP2.81
Rot. Bonds1

About (3-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone

(3-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone (PubChem CID 1302053) has the molecular formula C17H22BrN3O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is (3-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
PubChem CID1302053
Molecular FormulaC17H22BrN3O2
Molecular Weight380.29 g/mol
Exact Mass379.09
IUPAC Name(3-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H22BrN3O2/c18-15-6-4-5-14(13-15)16(22)19-9-11-21(12-10-19)17(23)20-7-2-1-3-8-20/h4-6,13H,1-3,7-12H2
InChIKeyBPLKODUOLYISEX-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

N-(3,5-dibromobenzoyl)piperidine-1-carboxamide
CID 2741479
(E)-1-(4-benzoylpiperazin-1-yl)-3-(4-bromophenyl)prop-2-en-1-one
CID 73330413
[4-(3-Bromo-benzoyl)-piperazin-1-yl]-(3-bromo-phenyl)-methanone
CID 237579
4-(3-bromobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 991670
(4-Benzylpiperazin-1-yl)-[1-(4-bromobenzoyl)piperidin-4-yl]methanone
CID 1209997
3-(4-Benzoylpiperazin-1-yl)-1-(4-bromophenyl)propan-1-one
CID 2117563
N~1~-[2-(4-Benzylpiperazino)-2-oxoethyl]-4-bromobenzamide
CID 2420336
3-bromo-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 4678807
N-[2-(4-Benzylpiperazin-1-yl)ethyl]-2-bromobenzamide
CID 14762566
(E)-3-(4-bromophenyl)-1-[4-(2-phenylacetyl)piperazin-1-yl]prop-2-en-1-one
CID 86579900
(4-Bromophenyl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 120489400
(3-Bromophenyl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 120489784

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone (CID 1302053) is (3-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone is O=C(c1cccc(Br)c1)N1CCN(C(=O)N2CCCCC2)CC1.
What is the InChIKey of (3-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
The InChIKey is BPLKODUOLYISEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O2/c18-15-6-4-5-14(13-15)16(22)19-9-11-21(12-10-19)17(23)20-7-2-1-3-8-20/h4-6,13H,1-3,7-12H2.
What are the key properties of (3-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
(3-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 (3-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1302053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).