[[N'-[3-[5-(cyclobutylcarbamoyl)-3-oxopiperazin-2-yl]propyl]carbamimidoyl]amino]-iodolead

C13H23IN6O2Pb — CID 143552689

IUPAC[[N'-[3-[5-(cyclobutylcarbamoyl)-3-oxopiperazin-2-yl]propyl]carbamimidoyl]amino]-iodolead
SMILESN/C(=N\CCCC1NCC(C(=O)NC2CCC2)NC1=O)N[Pb]I
InChIInChI=1S/C13H24N6O2.HI.Pb/c14-13(15)16-6-2-5-9-11(20)19-10(7-17-9)12(21)18-8-3-1-4-8;;/h8-10,17H,1-7H2,(H6,14,15,16,18,19,20,21);1H;/q;;+2/p-2
InChIKeyHRYZZTMZGMOWIT-UHFFFAOYSA-L
MW629.47 g/mol
LogP-1.23
Rot. Bonds7

About [[N'-[3-[5-(cyclobutylcarbamoyl)-3-oxopiperazin-2-yl]propyl]carbamimidoyl]amino]-iodolead

[[N'-[3-[5-(cyclobutylcarbamoyl)-3-oxopiperazin-2-yl]propyl]carbamimidoyl]amino]-iodolead (PubChem CID 143552689) has the molecular formula C13H23IN6O2Pb and a molecular weight of 629.47 g/mol. Its IUPAC name is [[N'-[3-[5-(cyclobutylcarbamoyl)-3-oxopiperazin-2-yl]propyl]carbamimidoyl]amino]-iodolead.

Molecular Properties

Compound Name[[N'-[3-[5-(cyclobutylcarbamoyl)-3-oxopiperazin-2-yl]propyl]carbamimidoyl]amino]-iodolead
PubChem CID143552689
Molecular FormulaC13H23IN6O2Pb
Molecular Weight629.47 g/mol
Exact Mass630.07
IUPAC Name[[N'-[3-[5-(cyclobutylcarbamoyl)-3-oxopiperazin-2-yl]propyl]carbamimidoyl]amino]-iodolead
SMILESN/C(=N\CCCC1NCC(C(=O)NC2CCC2)NC1=O)N[Pb]I
InChIInChI=1S/C13H24N6O2.HI.Pb/c14-13(15)16-6-2-5-9-11(20)19-10(7-17-9)12(21)18-8-3-1-4-8;;/h8-10,17H,1-7H2,(H6,14,15,16,18,19,20,21);1H;/q;;+2/p-2
InChIKeyHRYZZTMZGMOWIT-UHFFFAOYSA-L
XLogP-1.23
TPSA120.64 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500629.47
LogP ≤ 5-1.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [[N'-[3-[5-(cyclobutylcarbamoyl)-3-oxopiperazin-2-yl]propyl]carbamimidoyl]amino]-iodolead with MolForge

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Related Compounds

(2S,5S)-5-[3-(diaminomethylideneamino)propyl]-6-oxopiperazine-2-carboxylic acid
CID 24897325
N-cyclohexyl-1-(cyclohexylmethyl)-5-[3-(diaminomethylideneamino)propyl]-3,6-dioxopiperazine-2-carboxamide
CID 18338837
(2R,5R)-4-[(2R,5S)-5-butyl-6-oxopiperazine-2-carbonyl]-5-[3-(diaminomethylideneamino)propyl]-N-octyl-6-oxopiperidine-2-carboxamide
CID 59008357
4-[[amino-(cyclopropylamino)methylidene]amino]butanamide
CID 62363959
3-[[amino-(cyclopentylamino)methylidene]amino]propanamide
CID 62364509
N-cyclohexylaziridine-2-carboxamide
CID 142164432
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
CID 110062172
2-[3-[3,6-dioxo-5-(2-oxopropyl)piperazin-2-yl]propyl]guanidine
CID 10038719
ethane;formic acid;2-[3-(3-oxopiperazin-2-yl)propyl]guanidine
CID 143552690
(2S,8S,11S,19S)-19-acetamido-N-[(2S,5S,8S)-11-[[(2S,5S,8S)-11-carbamoyl-5-[3-(diaminomethylideneamino)propyl]-2,8-dimethyl-3,6,9,13,20-pentaoxo-1,4,7,10,14-pentazacycloicos-19-yl]carbamoyl]-5-[3-(diaminomethylideneamino)propyl]-2,8-dimethyl-3,6,9,13,20-pentaoxo-1,4,7,10,14-pentazacycloicos-19-yl]-5-[3-(diaminomethylideneamino)propyl]-2,8-dimethyl-3,6,9,13,20-pentaoxo-1,4,7,10,14-pentazacycloicosane-11-carboxamide
CID 177398020
1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine
CID 111088217
methyl 5-[[amino-(cyclopropylamino)methylidene]amino]pentanoate
CID 110930156

Frequently Asked Questions

What is the IUPAC name of [[N'-[3-[5-(cyclobutylcarbamoyl)-3-oxopiperazin-2-yl]propyl]carbamimidoyl]amino]-iodolead?
The IUPAC name of [[N'-[3-[5-(cyclobutylcarbamoyl)-3-oxopiperazin-2-yl]propyl]carbamimidoyl]amino]-iodolead (CID 143552689) is [[N'-[3-[5-(cyclobutylcarbamoyl)-3-oxopiperazin-2-yl]propyl]carbamimidoyl]amino]-iodolead.
What is the SMILES notation for [[N'-[3-[5-(cyclobutylcarbamoyl)-3-oxopiperazin-2-yl]propyl]carbamimidoyl]amino]-iodolead?
The canonical SMILES for [[N'-[3-[5-(cyclobutylcarbamoyl)-3-oxopiperazin-2-yl]propyl]carbamimidoyl]amino]-iodolead is N/C(=N\CCCC1NCC(C(=O)NC2CCC2)NC1=O)N[Pb]I.
What is the InChIKey of [[N'-[3-[5-(cyclobutylcarbamoyl)-3-oxopiperazin-2-yl]propyl]carbamimidoyl]amino]-iodolead?
The InChIKey is HRYZZTMZGMOWIT-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H24N6O2.HI.Pb/c14-13(15)16-6-2-5-9-11(20)19-10(7-17-9)12(21)18-8-3-1-4-8;;/h8-10,17H,1-7H2,(H6,14,15,16,18,19,20,21);1H;/q;;+2/p-2.
What are the key properties of [[N'-[3-[5-(cyclobutylcarbamoyl)-3-oxopiperazin-2-yl]propyl]carbamimidoyl]amino]-iodolead?
[[N'-[3-[5-(cyclobutylcarbamoyl)-3-oxopiperazin-2-yl]propyl]carbamimidoyl]amino]-iodolead has a molecular weight of 629.47 g/mol, XLogP of -1.23, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[N'-[3-[5-(cyclobutylcarbamoyl)-3-oxopiperazin-2-yl]propyl]carbamimidoyl]amino]-iodolead is sourced from PubChem (CID 143552689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).