[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(4-bromophenyl)methanone

C17H22BrN3O2 — CID 119309536

IUPAC[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(4-bromophenyl)methanone
SMILESNC1(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)CCCC1
InChIInChI=1S/C17H22BrN3O2/c18-14-5-3-13(4-6-14)15(22)20-9-11-21(12-10-20)16(23)17(19)7-1-2-8-17/h3-6H,1-2,7-12,19H2
InChIKeyOQEBXTNYQBOQNX-UHFFFAOYSA-N
MW380.29 g/mol
LogP2.01
Rot. Bonds2

About [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(4-bromophenyl)methanone

[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(4-bromophenyl)methanone (PubChem CID 119309536) has the molecular formula C17H22BrN3O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(4-bromophenyl)methanone.

Molecular Properties

Compound Name[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(4-bromophenyl)methanone
PubChem CID119309536
Molecular FormulaC17H22BrN3O2
Molecular Weight380.29 g/mol
Exact Mass379.09
IUPAC Name[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(4-bromophenyl)methanone
SMILESNC1(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)CCCC1
InChIInChI=1S/C17H22BrN3O2/c18-14-5-3-13(4-6-14)15(22)20-9-11-21(12-10-20)16(23)17(19)7-1-2-8-17/h3-6H,1-2,7-12,19H2
InChIKeyOQEBXTNYQBOQNX-UHFFFAOYSA-N
XLogP2.01
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 119281941
[4-(1-aminocyclohexanecarbonyl)-1,4-diazepan-1-yl]-(4-chlorophenyl)methanone;hydrochloride
CID 119302744
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone;hydrochloride
CID 119278586
[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 119297822
1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone
CID 23145474
3-[4-[4-(1-aminocyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1H-naphthalen-2-one
CID 161388153
3-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119309527
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119291542
4-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]butan-1-one
CID 119309548
[4-[4-(4-bromobenzoyl)-1,4-diazepane-1-carbonyl]phenyl] ethyl carbonate
CID 108929646
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 119316330
(1-aminocyclopentyl)-(azepan-1-yl)methanone
CID 60867017

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(4-bromophenyl)methanone?
The IUPAC name of [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(4-bromophenyl)methanone (CID 119309536) is [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(4-bromophenyl)methanone.
What is the SMILES notation for [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(4-bromophenyl)methanone?
The canonical SMILES for [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(4-bromophenyl)methanone is NC1(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)CCCC1.
What is the InChIKey of [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(4-bromophenyl)methanone?
The InChIKey is OQEBXTNYQBOQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O2/c18-14-5-3-13(4-6-14)15(22)20-9-11-21(12-10-20)16(23)17(19)7-1-2-8-17/h3-6H,1-2,7-12,19H2.
What are the key properties of [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(4-bromophenyl)methanone?
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(4-bromophenyl)methanone has a molecular weight of 380.29 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(4-bromophenyl)methanone is sourced from PubChem (CID 119309536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).