[1-[1-(3-bromobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone

C24H35BrN4O2 — CID 42881418

IUPAC[1-[1-(3-bromobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2CCN(C3CCN(C(=O)c4cccc(Br)c4)CC3)CC2)CC1
InChIInChI=1S/C24H35BrN4O2/c1-2-26-14-16-29(17-15-26)23(30)19-6-10-27(11-7-19)22-8-12-28(13-9-22)24(31)20-4-3-5-21(25)18-20/h3-5,18-19,22H,2,6-17H2,1H3
InChIKeyAIJHRDRZWRPXKA-UHFFFAOYSA-N
MW491.47 g/mol
LogP2.93
Rot. Bonds4

About [1-[1-(3-bromobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone

[1-[1-(3-bromobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 42881418) has the molecular formula C24H35BrN4O2 and a molecular weight of 491.47 g/mol. Its IUPAC name is [1-[1-(3-bromobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[1-(3-bromobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID42881418
Molecular FormulaC24H35BrN4O2
Molecular Weight491.47 g/mol
Exact Mass490.19
IUPAC Name[1-[1-(3-bromobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2CCN(C3CCN(C(=O)c4cccc(Br)c4)CC3)CC2)CC1
InChIInChI=1S/C24H35BrN4O2/c1-2-26-14-16-29(17-15-26)23(30)19-6-10-27(11-7-19)22-8-12-28(13-9-22)24(31)20-4-3-5-21(25)18-20/h3-5,18-19,22H,2,6-17H2,1H3
InChIKeyAIJHRDRZWRPXKA-UHFFFAOYSA-N
XLogP2.93
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.47
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-[1-(3-bromobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone
CID 42881412
[1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42881411
[1-[(3-bromophenyl)methyl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 1096603
[1-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42881394
[3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 109052272
1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 42881406
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 17223445
1-(3-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005883
1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 42881405
(3-bromophenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone
CID 113073783
2-[4-(3-bromobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440312
2-[4-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 47110866

Frequently Asked Questions

What is the IUPAC name of [1-[1-(3-bromobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [1-[1-(3-bromobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (CID 42881418) is [1-[1-(3-bromobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[1-(3-bromobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[1-(3-bromobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)C2CCN(C3CCN(C(=O)c4cccc(Br)c4)CC3)CC2)CC1.
What is the InChIKey of [1-[1-(3-bromobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is AIJHRDRZWRPXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35BrN4O2/c1-2-26-14-16-29(17-15-26)23(30)19-6-10-27(11-7-19)22-8-12-28(13-9-22)24(31)20-4-3-5-21(25)18-20/h3-5,18-19,22H,2,6-17H2,1H3.
What are the key properties of [1-[1-(3-bromobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
[1-[1-(3-bromobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 491.47 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(3-bromobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 42881418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).