1-(diaminomethylidene)-2-[2-(2-methylpiperidine-1-carbonyl)phenyl]guanidine

C15H22N6O — CID 168602207

IUPAC1-(diaminomethylidene)-2-[2-(2-methylpiperidine-1-carbonyl)phenyl]guanidine
SMILESCC1CCCCN1C(=O)c1ccccc1/N=C(\N)N=C(N)N
InChIInChI=1S/C15H22N6O/c1-10-6-4-5-9-21(10)13(22)11-7-2-3-8-12(11)19-15(18)20-14(16)17/h2-3,7-8,10H,4-6,9H2,1H3,(H6,16,17,18,19,20)
InChIKeyBIMDFJUAHFSLCK-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.92
Rot. Bonds2

About 1-(diaminomethylidene)-2-[2-(2-methylpiperidine-1-carbonyl)phenyl]guanidine

1-(diaminomethylidene)-2-[2-(2-methylpiperidine-1-carbonyl)phenyl]guanidine (PubChem CID 168602207) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[2-(2-methylpiperidine-1-carbonyl)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[2-(2-methylpiperidine-1-carbonyl)phenyl]guanidine
PubChem CID168602207
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name1-(diaminomethylidene)-2-[2-(2-methylpiperidine-1-carbonyl)phenyl]guanidine
SMILESCC1CCCCN1C(=O)c1ccccc1/N=C(\N)N=C(N)N
InChIInChI=1S/C15H22N6O/c1-10-6-4-5-9-21(10)13(22)11-7-2-3-8-12(11)19-15(18)20-14(16)17/h2-3,7-8,10H,4-6,9H2,1H3,(H6,16,17,18,19,20)
InChIKeyBIMDFJUAHFSLCK-UHFFFAOYSA-N
XLogP0.92
TPSA123.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(diaminomethylidene)-2-[2-(2-methylpiperidine-1-carbonyl)phenyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
ethyl 1-[2-[[amino-(diaminomethylideneamino)methylidene]amino]benzoyl]piperidine-3-carboxylate
CID 168604204
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
(3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40788930
8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid
CID 16772270
(4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone
CID 112811380
(5-bromonaphthalen-1-yl)-(2-methylpiperidin-1-yl)methanone
CID 50849833
(2-bromo-3-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 103755413
(2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 107362731
[2-(furan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 168525088
[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-(2-methylazepan-1-yl)methanone
CID 174180783
1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041349

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[2-(2-methylpiperidine-1-carbonyl)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[2-(2-methylpiperidine-1-carbonyl)phenyl]guanidine (CID 168602207) is 1-(diaminomethylidene)-2-[2-(2-methylpiperidine-1-carbonyl)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[2-(2-methylpiperidine-1-carbonyl)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[2-(2-methylpiperidine-1-carbonyl)phenyl]guanidine is CC1CCCCN1C(=O)c1ccccc1/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-[2-(2-methylpiperidine-1-carbonyl)phenyl]guanidine?
The InChIKey is BIMDFJUAHFSLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-10-6-4-5-9-21(10)13(22)11-7-2-3-8-12(11)19-15(18)20-14(16)17/h2-3,7-8,10H,4-6,9H2,1H3,(H6,16,17,18,19,20).
What are the key properties of 1-(diaminomethylidene)-2-[2-(2-methylpiperidine-1-carbonyl)phenyl]guanidine?
1-(diaminomethylidene)-2-[2-(2-methylpiperidine-1-carbonyl)phenyl]guanidine has a molecular weight of 302.38 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[2-(2-methylpiperidine-1-carbonyl)phenyl]guanidine is sourced from PubChem (CID 168602207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).