N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide

C15H21Cl2IN4O — CID 111055830

IUPACN-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
SMILESI.N/C(=N\CCNC(=O)c1ccc(Cl)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C15H20Cl2N4O.HI/c16-12-5-4-11(10-13(12)17)14(22)19-6-7-20-15(18)21-8-2-1-3-9-21;/h4-5,10H,1-3,6-9H2,(H2,18,20)(H,19,22);1H
InChIKeyYDEJQSGRRIXSJH-UHFFFAOYSA-N
MW471.17 g/mol
LogP3.14
Rot. Bonds4

About N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide

N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide (PubChem CID 111055830) has the molecular formula C15H21Cl2IN4O and a molecular weight of 471.17 g/mol. Its IUPAC name is N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
PubChem CID111055830
Molecular FormulaC15H21Cl2IN4O
Molecular Weight471.17 g/mol
Exact Mass470.01
IUPAC NameN-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
SMILESI.N/C(=N\CCNC(=O)c1ccc(Cl)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C15H20Cl2N4O.HI/c16-12-5-4-11(10-13(12)17)14(22)19-6-7-20-15(18)21-8-2-1-3-9-21;/h4-5,10H,1-3,6-9H2,(H2,18,20)(H,19,22);1H
InChIKeyYDEJQSGRRIXSJH-UHFFFAOYSA-N
XLogP3.14
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.17
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 111055780
N-[3-[[amino(piperidin-1-yl)methylidene]amino]propyl]-4-bromobenzamide
CID 111094043
N-[2-[[amino(anilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 110925367
N-[2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 111055808
N-[2-[[amino-(4-methylanilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 111055784
N-[2-[[amino-(4-pyrimidin-2-ylpiperazin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
CID 119118104
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
N-(2-amino-2-oxoethyl)-4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide
CID 111048623
3,4-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802534
N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111055570
3,4-dichloro-N-[2-[[ethylamino-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methylidene]amino]ethyl]benzamide;hydroiodide
CID 111742502

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide?
The IUPAC name of N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide (CID 111055830) is N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide?
The canonical SMILES for N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide is I.N/C(=N\CCNC(=O)c1ccc(Cl)c(Cl)c1)N1CCCCC1.
What is the InChIKey of N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide?
The InChIKey is YDEJQSGRRIXSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N4O.HI/c16-12-5-4-11(10-13(12)17)14(22)19-6-7-20-15(18)21-8-2-1-3-9-21;/h4-5,10H,1-3,6-9H2,(H2,18,20)(H,19,22);1H.
What are the key properties of N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide?
N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide has a molecular weight of 471.17 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide is sourced from PubChem (CID 111055830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).