N'-[(4-bromophenyl)methyl]-N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-4-(2,6-dioxopiperidin-1-yl)piperidine-1-carboximidamide;hydrobromide

C30H36Br2F2N4O2 — CID 167827256

IUPACN'-[(4-bromophenyl)methyl]-N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-4-(2,6-dioxopiperidin-1-yl)piperidine-1-carboximidamide;hydrobromide
SMILESBr.O=C1CCCC(=O)N1C1CCN(/C(=N\Cc2ccc(Br)cc2)NCC2(c3cccc(F)c3F)CCCC2)CC1
InChIInChI=1S/C30H35BrF2N4O2.BrH/c31-22-11-9-21(10-12-22)19-34-29(36-17-13-23(14-18-36)37-26(38)7-4-8-27(37)39)35-20-30(15-1-2-16-30)24-5-3-6-25(32)28(24)33;/h3,5-6,9-12,23H,1-2,4,7-8,13-20H2,(H,34,35);1H
InChIKeyBAWRQIKSIXLBMS-UHFFFAOYSA-N
MW682.45 g/mol
LogP6.27
Rot. Bonds6

About N'-[(4-bromophenyl)methyl]-N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-4-(2,6-dioxopiperidin-1-yl)piperidine-1-carboximidamide;hydrobromide

N'-[(4-bromophenyl)methyl]-N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-4-(2,6-dioxopiperidin-1-yl)piperidine-1-carboximidamide;hydrobromide (PubChem CID 167827256) has the molecular formula C30H36Br2F2N4O2 and a molecular weight of 682.45 g/mol. Its IUPAC name is N'-[(4-bromophenyl)methyl]-N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-4-(2,6-dioxopiperidin-1-yl)piperidine-1-carboximidamide;hydrobromide.

Molecular Properties

Compound NameN'-[(4-bromophenyl)methyl]-N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-4-(2,6-dioxopiperidin-1-yl)piperidine-1-carboximidamide;hydrobromide
PubChem CID167827256
Molecular FormulaC30H36Br2F2N4O2
Molecular Weight682.45 g/mol
Exact Mass680.12
IUPAC NameN'-[(4-bromophenyl)methyl]-N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-4-(2,6-dioxopiperidin-1-yl)piperidine-1-carboximidamide;hydrobromide
SMILESBr.O=C1CCCC(=O)N1C1CCN(/C(=N\Cc2ccc(Br)cc2)NCC2(c3cccc(F)c3F)CCCC2)CC1
InChIInChI=1S/C30H35BrF2N4O2.BrH/c31-22-11-9-21(10-12-22)19-34-29(36-17-13-23(14-18-36)37-26(38)7-4-8-27(37)39)35-20-30(15-1-2-16-30)24-5-3-6-25(32)28(24)33;/h3,5-6,9-12,23H,1-2,4,7-8,13-20H2,(H,34,35);1H
InChIKeyBAWRQIKSIXLBMS-UHFFFAOYSA-N
XLogP6.27
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.45
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N'-[(4-bromophenyl)methyl]-N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-4-(2,6-dioxopiperidin-1-yl)piperidine-1-carboximidamide;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 139009869
1-[[1-(2,3-difluorophenyl)cyclopentyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122011756
2-[[N-[(4-bromophenyl)methyl]-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111977358
2-[[N-[(4-bromophenyl)methyl]-C-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]carbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111978475
N'-[(4-bromophenyl)methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 111978372
methyl 1-[N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111253426
N-ethyl-N'-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955181
N-ethyl-4-methyl-N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111210904
methyl 1-[N-[[1-(3-bromophenyl)cyclobutyl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111252881
2-[[C-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N-[(4-bromophenyl)methyl]carbonimidoyl]amino]-N,N-dimethylacetamide
CID 110048427
methyl 1-[N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111252949
N'-[(4-bromophenyl)methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109446959

Frequently Asked Questions

What is the IUPAC name of N'-[(4-bromophenyl)methyl]-N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-4-(2,6-dioxopiperidin-1-yl)piperidine-1-carboximidamide;hydrobromide?
The IUPAC name of N'-[(4-bromophenyl)methyl]-N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-4-(2,6-dioxopiperidin-1-yl)piperidine-1-carboximidamide;hydrobromide (CID 167827256) is N'-[(4-bromophenyl)methyl]-N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-4-(2,6-dioxopiperidin-1-yl)piperidine-1-carboximidamide;hydrobromide.
What is the SMILES notation for N'-[(4-bromophenyl)methyl]-N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-4-(2,6-dioxopiperidin-1-yl)piperidine-1-carboximidamide;hydrobromide?
The canonical SMILES for N'-[(4-bromophenyl)methyl]-N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-4-(2,6-dioxopiperidin-1-yl)piperidine-1-carboximidamide;hydrobromide is Br.O=C1CCCC(=O)N1C1CCN(/C(=N\Cc2ccc(Br)cc2)NCC2(c3cccc(F)c3F)CCCC2)CC1.
What is the InChIKey of N'-[(4-bromophenyl)methyl]-N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-4-(2,6-dioxopiperidin-1-yl)piperidine-1-carboximidamide;hydrobromide?
The InChIKey is BAWRQIKSIXLBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35BrF2N4O2.BrH/c31-22-11-9-21(10-12-22)19-34-29(36-17-13-23(14-18-36)37-26(38)7-4-8-27(37)39)35-20-30(15-1-2-16-30)24-5-3-6-25(32)28(24)33;/h3,5-6,9-12,23H,1-2,4,7-8,13-20H2,(H,34,35);1H.
What are the key properties of N'-[(4-bromophenyl)methyl]-N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-4-(2,6-dioxopiperidin-1-yl)piperidine-1-carboximidamide;hydrobromide?
N'-[(4-bromophenyl)methyl]-N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-4-(2,6-dioxopiperidin-1-yl)piperidine-1-carboximidamide;hydrobromide has a molecular weight of 682.45 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-bromophenyl)methyl]-N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-4-(2,6-dioxopiperidin-1-yl)piperidine-1-carboximidamide;hydrobromide is sourced from PubChem (CID 167827256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).