N-[2-[[1-[4-(dimethylamino)-4-methyliminobutanoyl]piperidin-4-yl]-methylamino]ethyl]acetamide

C17H33N5O2 — CID 139321055

IUPACN-[2-[[1-[4-(dimethylamino)-4-methyliminobutanoyl]piperidin-4-yl]-methylamino]ethyl]acetamide
SMILESC/N=C(/CCC(=O)N1CCC(N(C)CCNC(C)=O)CC1)N(C)C
InChIInChI=1S/C17H33N5O2/c1-14(23)19-10-13-21(5)15-8-11-22(12-9-15)17(24)7-6-16(18-2)20(3)4/h15H,6-13H2,1-5H3,(H,19,23)/b18-16-
InChIKeyLFVICJIATKKXBC-VLGSPTGOSA-N
MW339.48 g/mol
LogP0.42
Rot. Bonds7

About N-[2-[[1-[4-(dimethylamino)-4-methyliminobutanoyl]piperidin-4-yl]-methylamino]ethyl]acetamide

N-[2-[[1-[4-(dimethylamino)-4-methyliminobutanoyl]piperidin-4-yl]-methylamino]ethyl]acetamide (PubChem CID 139321055) has the molecular formula C17H33N5O2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[2-[[1-[4-(dimethylamino)-4-methyliminobutanoyl]piperidin-4-yl]-methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[1-[4-(dimethylamino)-4-methyliminobutanoyl]piperidin-4-yl]-methylamino]ethyl]acetamide
PubChem CID139321055
Molecular FormulaC17H33N5O2
Molecular Weight339.48 g/mol
Exact Mass339.26
IUPAC NameN-[2-[[1-[4-(dimethylamino)-4-methyliminobutanoyl]piperidin-4-yl]-methylamino]ethyl]acetamide
SMILESC/N=C(/CCC(=O)N1CCC(N(C)CCNC(C)=O)CC1)N(C)C
InChIInChI=1S/C17H33N5O2/c1-14(23)19-10-13-21(5)15-8-11-22(12-9-15)17(24)7-6-16(18-2)20(3)4/h15H,6-13H2,1-5H3,(H,19,23)/b18-16-
InChIKeyLFVICJIATKKXBC-VLGSPTGOSA-N
XLogP0.42
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[2-[[1-[4-(dimethylamino)-4-methyliminobutanoyl]piperidin-4-yl]-methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[1-[4-(dimethylamino)-4-methyliminobutanoyl]piperidin-4-yl]-methylamino]ethyl]acetamide (CID 139321055) is N-[2-[[1-[4-(dimethylamino)-4-methyliminobutanoyl]piperidin-4-yl]-methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[1-[4-(dimethylamino)-4-methyliminobutanoyl]piperidin-4-yl]-methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[1-[4-(dimethylamino)-4-methyliminobutanoyl]piperidin-4-yl]-methylamino]ethyl]acetamide is C/N=C(/CCC(=O)N1CCC(N(C)CCNC(C)=O)CC1)N(C)C.
What is the InChIKey of N-[2-[[1-[4-(dimethylamino)-4-methyliminobutanoyl]piperidin-4-yl]-methylamino]ethyl]acetamide?
The InChIKey is LFVICJIATKKXBC-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H33N5O2/c1-14(23)19-10-13-21(5)15-8-11-22(12-9-15)17(24)7-6-16(18-2)20(3)4/h15H,6-13H2,1-5H3,(H,19,23)/b18-16-.
What are the key properties of N-[2-[[1-[4-(dimethylamino)-4-methyliminobutanoyl]piperidin-4-yl]-methylamino]ethyl]acetamide?
N-[2-[[1-[4-(dimethylamino)-4-methyliminobutanoyl]piperidin-4-yl]-methylamino]ethyl]acetamide has a molecular weight of 339.48 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[4-(dimethylamino)-4-methyliminobutanoyl]piperidin-4-yl]-methylamino]ethyl]acetamide is sourced from PubChem (CID 139321055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).