N-[C-butyl-N-[1-(2-ethylbutanoyl)piperidin-3-yl]carbonimidoyl]-N-ethylformamide

C19H35N3O2 — CID 170592060

IUPACN-[C-butyl-N-[1-(2-ethylbutanoyl)piperidin-3-yl]carbonimidoyl]-N-ethylformamide
SMILESCCCC/C(=N\C1CCCN(C(=O)C(CC)CC)C1)N(C=O)CC
InChIInChI=1S/C19H35N3O2/c1-5-9-12-18(21(8-4)15-23)20-17-11-10-13-22(14-17)19(24)16(6-2)7-3/h15-17H,5-14H2,1-4H3/b20-18+
InChIKeyZVNXCQIRHXXPRV-CZIZESTLSA-N
MW337.51 g/mol
LogP3.48
Rot. Bonds9

About N-[C-butyl-N-[1-(2-ethylbutanoyl)piperidin-3-yl]carbonimidoyl]-N-ethylformamide

N-[C-butyl-N-[1-(2-ethylbutanoyl)piperidin-3-yl]carbonimidoyl]-N-ethylformamide (PubChem CID 170592060) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is N-[C-butyl-N-[1-(2-ethylbutanoyl)piperidin-3-yl]carbonimidoyl]-N-ethylformamide.

Molecular Properties

Compound NameN-[C-butyl-N-[1-(2-ethylbutanoyl)piperidin-3-yl]carbonimidoyl]-N-ethylformamide
PubChem CID170592060
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC NameN-[C-butyl-N-[1-(2-ethylbutanoyl)piperidin-3-yl]carbonimidoyl]-N-ethylformamide
SMILESCCCC/C(=N\C1CCCN(C(=O)C(CC)CC)C1)N(C=O)CC
InChIInChI=1S/C19H35N3O2/c1-5-9-12-18(21(8-4)15-23)20-17-11-10-13-22(14-17)19(24)16(6-2)7-3/h15-17H,5-14H2,1-4H3/b20-18+
InChIKeyZVNXCQIRHXXPRV-CZIZESTLSA-N
XLogP3.48
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 53.48
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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Frequently Asked Questions

What is the IUPAC name of N-[C-butyl-N-[1-(2-ethylbutanoyl)piperidin-3-yl]carbonimidoyl]-N-ethylformamide?
The IUPAC name of N-[C-butyl-N-[1-(2-ethylbutanoyl)piperidin-3-yl]carbonimidoyl]-N-ethylformamide (CID 170592060) is N-[C-butyl-N-[1-(2-ethylbutanoyl)piperidin-3-yl]carbonimidoyl]-N-ethylformamide.
What is the SMILES notation for N-[C-butyl-N-[1-(2-ethylbutanoyl)piperidin-3-yl]carbonimidoyl]-N-ethylformamide?
The canonical SMILES for N-[C-butyl-N-[1-(2-ethylbutanoyl)piperidin-3-yl]carbonimidoyl]-N-ethylformamide is CCCC/C(=N\C1CCCN(C(=O)C(CC)CC)C1)N(C=O)CC.
What is the InChIKey of N-[C-butyl-N-[1-(2-ethylbutanoyl)piperidin-3-yl]carbonimidoyl]-N-ethylformamide?
The InChIKey is ZVNXCQIRHXXPRV-CZIZESTLSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-5-9-12-18(21(8-4)15-23)20-17-11-10-13-22(14-17)19(24)16(6-2)7-3/h15-17H,5-14H2,1-4H3/b20-18+.
What are the key properties of N-[C-butyl-N-[1-(2-ethylbutanoyl)piperidin-3-yl]carbonimidoyl]-N-ethylformamide?
N-[C-butyl-N-[1-(2-ethylbutanoyl)piperidin-3-yl]carbonimidoyl]-N-ethylformamide has a molecular weight of 337.51 g/mol, XLogP of 3.48, 9 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-(2-ethylbutanoyl)piperidin-3-yl]carbonimidoyl]-N-ethylformamide is sourced from PubChem (CID 170592060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).