4-[[[ethylamino-(2-piperidin-1-ylethylamino)methylidene]amino]methyl]benzamide

C18H29N5O — CID 111415349

IUPAC4-[[[ethylamino-(2-piperidin-1-ylethylamino)methylidene]amino]methyl]benzamide
SMILESCCN/C(=N\Cc1ccc(C(N)=O)cc1)NCCN1CCCCC1
InChIInChI=1S/C18H29N5O/c1-2-20-18(21-10-13-23-11-4-3-5-12-23)22-14-15-6-8-16(9-7-15)17(19)24/h6-9H,2-5,10-14H2,1H3,(H2,19,24)(H2,20,21,22)
InChIKeyYRRSHVIIRFYSNA-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.33
Rot. Bonds7

About 4-[[[ethylamino-(2-piperidin-1-ylethylamino)methylidene]amino]methyl]benzamide

4-[[[ethylamino-(2-piperidin-1-ylethylamino)methylidene]amino]methyl]benzamide (PubChem CID 111415349) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[[[ethylamino-(2-piperidin-1-ylethylamino)methylidene]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[ethylamino-(2-piperidin-1-ylethylamino)methylidene]amino]methyl]benzamide
PubChem CID111415349
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name4-[[[ethylamino-(2-piperidin-1-ylethylamino)methylidene]amino]methyl]benzamide
SMILESCCN/C(=N\Cc1ccc(C(N)=O)cc1)NCCN1CCCCC1
InChIInChI=1S/C18H29N5O/c1-2-20-18(21-10-13-23-11-4-3-5-12-23)22-14-15-6-8-16(9-7-15)17(19)24/h6-9H,2-5,10-14H2,1H3,(H2,19,24)(H2,20,21,22)
InChIKeyYRRSHVIIRFYSNA-UHFFFAOYSA-N
XLogP1.33
TPSA82.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[[ethylamino-(2-piperidin-1-ylethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111417120
methyl 4-[[[[3-(azepan-1-yl)propylamino]-(ethylamino)methylidene]amino]methyl]benzoate;hydroiodide
CID 111162280
1-ethyl-2-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111415849
4-[[[ethylamino-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]methyl]benzamide
CID 111320298
1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111413634
1-ethyl-2-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415848
4-[[[N'-methyl-N-(2-piperidin-1-ylethyl)carbamimidoyl]amino]methyl]benzamide
CID 111415621
4-[[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111937154
1-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415088
1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethyl-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111501651
3-[[[ethylamino-(2-piperidin-1-ylethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111416912
4-[[[ethylamino-[2-(3-ethyl-1,2,4-triazol-4-yl)ethylamino]methylidene]amino]methyl]benzamide
CID 111698398

Frequently Asked Questions

What is the IUPAC name of 4-[[[ethylamino-(2-piperidin-1-ylethylamino)methylidene]amino]methyl]benzamide?
The IUPAC name of 4-[[[ethylamino-(2-piperidin-1-ylethylamino)methylidene]amino]methyl]benzamide (CID 111415349) is 4-[[[ethylamino-(2-piperidin-1-ylethylamino)methylidene]amino]methyl]benzamide.
What is the SMILES notation for 4-[[[ethylamino-(2-piperidin-1-ylethylamino)methylidene]amino]methyl]benzamide?
The canonical SMILES for 4-[[[ethylamino-(2-piperidin-1-ylethylamino)methylidene]amino]methyl]benzamide is CCN/C(=N\Cc1ccc(C(N)=O)cc1)NCCN1CCCCC1.
What is the InChIKey of 4-[[[ethylamino-(2-piperidin-1-ylethylamino)methylidene]amino]methyl]benzamide?
The InChIKey is YRRSHVIIRFYSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-2-20-18(21-10-13-23-11-4-3-5-12-23)22-14-15-6-8-16(9-7-15)17(19)24/h6-9H,2-5,10-14H2,1H3,(H2,19,24)(H2,20,21,22).
What are the key properties of 4-[[[ethylamino-(2-piperidin-1-ylethylamino)methylidene]amino]methyl]benzamide?
4-[[[ethylamino-(2-piperidin-1-ylethylamino)methylidene]amino]methyl]benzamide has a molecular weight of 331.46 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[ethylamino-(2-piperidin-1-ylethylamino)methylidene]amino]methyl]benzamide is sourced from PubChem (CID 111415349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).