3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide;hydroiodide

C17H27IN4O — CID 110920491

IUPAC3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCC(=O)NCc2ccccc2)CC1.I
InChIInChI=1S/C17H26N4O.HI/c1-14-8-11-21(12-9-14)17(18)19-10-7-16(22)20-13-15-5-3-2-4-6-15;/h2-6,14H,7-13H2,1H3,(H2,18,19)(H,20,22);1H
InChIKeyLMJWEZHEDPIUEP-UHFFFAOYSA-N
MW430.33 g/mol
LogP2.36
Rot. Bonds5

About 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide;hydroiodide

3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide;hydroiodide (PubChem CID 110920491) has the molecular formula C17H27IN4O and a molecular weight of 430.33 g/mol. Its IUPAC name is 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide;hydroiodide
PubChem CID110920491
Molecular FormulaC17H27IN4O
Molecular Weight430.33 g/mol
Exact Mass430.12
IUPAC Name3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCC(=O)NCc2ccccc2)CC1.I
InChIInChI=1S/C17H26N4O.HI/c1-14-8-11-21(12-9-14)17(18)19-10-7-16(22)20-13-15-5-3-2-4-6-15;/h2-6,14H,7-13H2,1H3,(H2,18,19)(H,20,22);1H
InChIKeyLMJWEZHEDPIUEP-UHFFFAOYSA-N
XLogP2.36
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide
CID 110920492
N-benzyl-3-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]propanamide;hydroiodide
CID 111209903
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N'-(2-benzylsulfinylethyl)-4-methylpiperidine-1-carboximidamide
CID 111424439
N'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919171
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 110927813
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide
CID 110920904
N'-[3-(benzenesulfonyl)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920487
methyl 1-[N'-[3-(benzylamino)-3-oxopropyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
CID 111253571
4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919520
N'-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-methylpiperidine-1-carboximidamide
CID 111549361
4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 110919342

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide;hydroiodide?
The IUPAC name of 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide;hydroiodide (CID 110920491) is 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide;hydroiodide?
The canonical SMILES for 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide;hydroiodide is CC1CCN(/C(N)=N/CCC(=O)NCc2ccccc2)CC1.I.
What is the InChIKey of 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide;hydroiodide?
The InChIKey is LMJWEZHEDPIUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.HI/c1-14-8-11-21(12-9-14)17(18)19-10-7-16(22)20-13-15-5-3-2-4-6-15;/h2-6,14H,7-13H2,1H3,(H2,18,19)(H,20,22);1H.
What are the key properties of 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide;hydroiodide?
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide;hydroiodide has a molecular weight of 430.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide;hydroiodide is sourced from PubChem (CID 110920491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).