N-[3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propyl]-3-hydroxybenzamide

C19H30N4O2 — CID 111144304

IUPACN-[3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propyl]-3-hydroxybenzamide
SMILESCCN/C(=N\CCCNC(=O)c1cccc(O)c1)N1CCCC(C)C1
InChIInChI=1S/C19H30N4O2/c1-3-20-19(23-12-5-7-15(2)14-23)22-11-6-10-21-18(25)16-8-4-9-17(24)13-16/h4,8-9,13,15,24H,3,5-7,10-12,14H2,1-2H3,(H,20,22)(H,21,25)
InChIKeyVOCMZBMRKKEEJL-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.21
Rot. Bonds6

About N-[3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propyl]-3-hydroxybenzamide

N-[3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propyl]-3-hydroxybenzamide (PubChem CID 111144304) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propyl]-3-hydroxybenzamide
PubChem CID111144304
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC NameN-[3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propyl]-3-hydroxybenzamide
SMILESCCN/C(=N\CCCNC(=O)c1cccc(O)c1)N1CCCC(C)C1
InChIInChI=1S/C19H30N4O2/c1-3-20-19(23-12-5-7-15(2)14-23)22-11-6-10-21-18(25)16-8-4-9-17(24)13-16/h4,8-9,13,15,24H,3,5-7,10-12,14H2,1-2H3,(H,20,22)(H,21,25)
InChIKeyVOCMZBMRKKEEJL-UHFFFAOYSA-N
XLogP2.21
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N-ethyl-3-[[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide
CID 111143934
3-bromo-N-[3-[[ethylamino-[(3R)-3-hydroxypyrrolidin-1-yl]methylidene]amino]propyl]benzamide;hydroiodide
CID 111550533
N-[3-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]propyl]-3-hydroxybenzamide;hydroiodide
CID 111018688
N-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-3-bromobenzamide
CID 111095102
N'-[2-(2,6-difluorophenyl)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111145705
N-[3-[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]propyl]benzamide
CID 111732161
N-[3-[[butylamino(ethylamino)methylidene]amino]propyl]-3-hydroxybenzamide;hydroiodide
CID 111150111
3-bromo-N-[2-[[ethylamino-[(3R)-3-hydroxypyrrolidin-1-yl]methylidene]amino]ethyl]benzamide;hydroiodide
CID 111551205
N-ethyl-N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144639
N-[2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 111144923
N-ethyl-N'-(5-methoxypentyl)-3-methylpiperidine-1-carboximidamide
CID 111144570
3-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109055941

Frequently Asked Questions

What is the IUPAC name of N-[3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propyl]-3-hydroxybenzamide?
The IUPAC name of N-[3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propyl]-3-hydroxybenzamide (CID 111144304) is N-[3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propyl]-3-hydroxybenzamide?
The canonical SMILES for N-[3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propyl]-3-hydroxybenzamide is CCN/C(=N\CCCNC(=O)c1cccc(O)c1)N1CCCC(C)C1.
What is the InChIKey of N-[3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propyl]-3-hydroxybenzamide?
The InChIKey is VOCMZBMRKKEEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-20-19(23-12-5-7-15(2)14-23)22-11-6-10-21-18(25)16-8-4-9-17(24)13-16/h4,8-9,13,15,24H,3,5-7,10-12,14H2,1-2H3,(H,20,22)(H,21,25).
What are the key properties of N-[3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propyl]-3-hydroxybenzamide?
N-[3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propyl]-3-hydroxybenzamide has a molecular weight of 346.47 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propyl]-3-hydroxybenzamide is sourced from PubChem (CID 111144304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).