N-[C-butyl-N-[3-methyl-1-(2-methylpropanoyl)piperidin-3-yl]carbonimidoyl]-N-propan-2-ylformamide

C19H35N3O2 — CID 170592115

IUPACN-[C-butyl-N-[3-methyl-1-(2-methylpropanoyl)piperidin-3-yl]carbonimidoyl]-N-propan-2-ylformamide
SMILESCCCC/C(=N\C1(C)CCCN(C(=O)C(C)C)C1)N(C=O)C(C)C
InChIInChI=1S/C19H35N3O2/c1-7-8-10-17(22(14-23)16(4)5)20-19(6)11-9-12-21(13-19)18(24)15(2)3/h14-16H,7-13H2,1-6H3/b20-17+
InChIKeyFGNZBTVAPFAFHO-LVZFUZTISA-N
MW337.51 g/mol
LogP3.48
Rot. Bonds7

About N-[C-butyl-N-[3-methyl-1-(2-methylpropanoyl)piperidin-3-yl]carbonimidoyl]-N-propan-2-ylformamide

N-[C-butyl-N-[3-methyl-1-(2-methylpropanoyl)piperidin-3-yl]carbonimidoyl]-N-propan-2-ylformamide (PubChem CID 170592115) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is N-[C-butyl-N-[3-methyl-1-(2-methylpropanoyl)piperidin-3-yl]carbonimidoyl]-N-propan-2-ylformamide.

Molecular Properties

Compound NameN-[C-butyl-N-[3-methyl-1-(2-methylpropanoyl)piperidin-3-yl]carbonimidoyl]-N-propan-2-ylformamide
PubChem CID170592115
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC NameN-[C-butyl-N-[3-methyl-1-(2-methylpropanoyl)piperidin-3-yl]carbonimidoyl]-N-propan-2-ylformamide
SMILESCCCC/C(=N\C1(C)CCCN(C(=O)C(C)C)C1)N(C=O)C(C)C
InChIInChI=1S/C19H35N3O2/c1-7-8-10-17(22(14-23)16(4)5)20-19(6)11-9-12-21(13-19)18(24)15(2)3/h14-16H,7-13H2,1-6H3/b20-17+
InChIKeyFGNZBTVAPFAFHO-LVZFUZTISA-N
XLogP3.48
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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-[3-methyl-1-(2-methylpropanoyl)piperidin-3-yl]carbonimidoyl]-N-propan-2-ylformamide?
The IUPAC name of N-[C-butyl-N-[3-methyl-1-(2-methylpropanoyl)piperidin-3-yl]carbonimidoyl]-N-propan-2-ylformamide (CID 170592115) is N-[C-butyl-N-[3-methyl-1-(2-methylpropanoyl)piperidin-3-yl]carbonimidoyl]-N-propan-2-ylformamide.
What is the SMILES notation for N-[C-butyl-N-[3-methyl-1-(2-methylpropanoyl)piperidin-3-yl]carbonimidoyl]-N-propan-2-ylformamide?
The canonical SMILES for N-[C-butyl-N-[3-methyl-1-(2-methylpropanoyl)piperidin-3-yl]carbonimidoyl]-N-propan-2-ylformamide is CCCC/C(=N\C1(C)CCCN(C(=O)C(C)C)C1)N(C=O)C(C)C.
What is the InChIKey of N-[C-butyl-N-[3-methyl-1-(2-methylpropanoyl)piperidin-3-yl]carbonimidoyl]-N-propan-2-ylformamide?
The InChIKey is FGNZBTVAPFAFHO-LVZFUZTISA-N. The full InChI is InChI=1S/C19H35N3O2/c1-7-8-10-17(22(14-23)16(4)5)20-19(6)11-9-12-21(13-19)18(24)15(2)3/h14-16H,7-13H2,1-6H3/b20-17+.
What are the key properties of N-[C-butyl-N-[3-methyl-1-(2-methylpropanoyl)piperidin-3-yl]carbonimidoyl]-N-propan-2-ylformamide?
N-[C-butyl-N-[3-methyl-1-(2-methylpropanoyl)piperidin-3-yl]carbonimidoyl]-N-propan-2-ylformamide has a molecular weight of 337.51 g/mol, XLogP of 3.48, 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-[3-methyl-1-(2-methylpropanoyl)piperidin-3-yl]carbonimidoyl]-N-propan-2-ylformamide is sourced from PubChem (CID 170592115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).