N-[C-butyl-N-[1-(cyclobutanecarbonyl)-4-methylpiperidin-4-yl]carbonimidoyl]-N-ethylformamide

C19H33N3O2 — CID 170592352

IUPACN-[C-butyl-N-[1-(cyclobutanecarbonyl)-4-methylpiperidin-4-yl]carbonimidoyl]-N-ethylformamide
SMILESCCCC/C(=N\C1(C)CCN(C(=O)C2CCC2)CC1)N(C=O)CC
InChIInChI=1S/C19H33N3O2/c1-4-6-10-17(21(5-2)15-23)20-19(3)11-13-22(14-12-19)18(24)16-8-7-9-16/h15-16H,4-14H2,1-3H3/b20-17+
InChIKeyBYTUVXZKMQIHHU-LVZFUZTISA-N
MW335.49 g/mol
LogP3.23
Rot. Bonds7

About N-[C-butyl-N-[1-(cyclobutanecarbonyl)-4-methylpiperidin-4-yl]carbonimidoyl]-N-ethylformamide

N-[C-butyl-N-[1-(cyclobutanecarbonyl)-4-methylpiperidin-4-yl]carbonimidoyl]-N-ethylformamide (PubChem CID 170592352) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-[C-butyl-N-[1-(cyclobutanecarbonyl)-4-methylpiperidin-4-yl]carbonimidoyl]-N-ethylformamide.

Molecular Properties

Compound NameN-[C-butyl-N-[1-(cyclobutanecarbonyl)-4-methylpiperidin-4-yl]carbonimidoyl]-N-ethylformamide
PubChem CID170592352
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC NameN-[C-butyl-N-[1-(cyclobutanecarbonyl)-4-methylpiperidin-4-yl]carbonimidoyl]-N-ethylformamide
SMILESCCCC/C(=N\C1(C)CCN(C(=O)C2CCC2)CC1)N(C=O)CC
InChIInChI=1S/C19H33N3O2/c1-4-6-10-17(21(5-2)15-23)20-19(3)11-13-22(14-12-19)18(24)16-8-7-9-16/h15-16H,4-14H2,1-3H3/b20-17+
InChIKeyBYTUVXZKMQIHHU-LVZFUZTISA-N
XLogP3.23
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Butyl-8-(cyclobutanecarbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170411851
2-Butyl-3-ethyl-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane
CID 170592027
N-[C-butyl-N-[3-methyl-1-(2-methylpropanoyl)piperidin-3-yl]carbonimidoyl]-N-propan-2-ylformamide
CID 170592115
2-(Cyclobutylmethyl)-3-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-ene-9-carbaldehyde;methylcyclopentane
CID 170592286
N-[C-butyl-N-[1-(2-cyanoacetyl)-4-methylpiperidin-4-yl]carbonimidoyl]-N-ethylformamide;ethane
CID 170592379
N-[C-butyl-N-[1-(cyclohexanecarbonyl)-4-methylpiperidin-4-yl]carbonimidoyl]-N-propan-2-ylformamide
CID 170592390
N-[C-butyl-N-[1-(2-ethylbutanoyl)piperidin-3-yl]carbonimidoyl]-N-ethylformamide
CID 170592060
2-(Cyclobutylmethyl)-3-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-ene-9-carbaldehyde
CID 170592287
N-[C-butyl-N-(4-methyl-1-pentanoylpiperidin-4-yl)carbonimidoyl]-N-methylformamide
CID 170592345
N-[C-butyl-N-[1-(2-cyanoacetyl)-4-methylpiperidin-4-yl]carbonimidoyl]-N-ethylformamide
CID 170592380

Frequently Asked Questions

What is the IUPAC name of N-[C-butyl-N-[1-(cyclobutanecarbonyl)-4-methylpiperidin-4-yl]carbonimidoyl]-N-ethylformamide?
The IUPAC name of N-[C-butyl-N-[1-(cyclobutanecarbonyl)-4-methylpiperidin-4-yl]carbonimidoyl]-N-ethylformamide (CID 170592352) is N-[C-butyl-N-[1-(cyclobutanecarbonyl)-4-methylpiperidin-4-yl]carbonimidoyl]-N-ethylformamide.
What is the SMILES notation for N-[C-butyl-N-[1-(cyclobutanecarbonyl)-4-methylpiperidin-4-yl]carbonimidoyl]-N-ethylformamide?
The canonical SMILES for N-[C-butyl-N-[1-(cyclobutanecarbonyl)-4-methylpiperidin-4-yl]carbonimidoyl]-N-ethylformamide is CCCC/C(=N\C1(C)CCN(C(=O)C2CCC2)CC1)N(C=O)CC.
What is the InChIKey of N-[C-butyl-N-[1-(cyclobutanecarbonyl)-4-methylpiperidin-4-yl]carbonimidoyl]-N-ethylformamide?
The InChIKey is BYTUVXZKMQIHHU-LVZFUZTISA-N. The full InChI is InChI=1S/C19H33N3O2/c1-4-6-10-17(21(5-2)15-23)20-19(3)11-13-22(14-12-19)18(24)16-8-7-9-16/h15-16H,4-14H2,1-3H3/b20-17+.
What are the key properties of N-[C-butyl-N-[1-(cyclobutanecarbonyl)-4-methylpiperidin-4-yl]carbonimidoyl]-N-ethylformamide?
N-[C-butyl-N-[1-(cyclobutanecarbonyl)-4-methylpiperidin-4-yl]carbonimidoyl]-N-ethylformamide has a molecular weight of 335.49 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[C-butyl-N-[1-(cyclobutanecarbonyl)-4-methylpiperidin-4-yl]carbonimidoyl]-N-ethylformamide is sourced from PubChem (CID 170592352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).