N-[1-[[(E)-2,5-dimethyl-6-oxo-6-piperidin-1-ylhex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide

C28H50N4O3 — CID 21031610

IUPACN-[1-[[(E)-2,5-dimethyl-6-oxo-6-piperidin-1-ylhex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide
SMILESC/C(=C\C(C(C)C)N(C)C(=O)C(NC(=O)C1CCCCN1C(C)C)C(C)C)C(=O)N1CCCCC1
InChIInChI=1S/C28H50N4O3/c1-19(2)24(18-22(7)27(34)31-15-11-9-12-16-31)30(8)28(35)25(20(3)4)29-26(33)23-14-10-13-17-32(23)21(5)6/h18-21,23-25H,9-17H2,1-8H3,(H,29,33)/b22-18+
InChIKeyVBFMOTFSNXHCDB-RELWKKBWSA-N
MW490.73 g/mol
LogP3.83
Rot. Bonds9

About N-[1-[[(E)-2,5-dimethyl-6-oxo-6-piperidin-1-ylhex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide

N-[1-[[(E)-2,5-dimethyl-6-oxo-6-piperidin-1-ylhex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide (PubChem CID 21031610) has the molecular formula C28H50N4O3 and a molecular weight of 490.73 g/mol. Its IUPAC name is N-[1-[[(E)-2,5-dimethyl-6-oxo-6-piperidin-1-ylhex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[(E)-2,5-dimethyl-6-oxo-6-piperidin-1-ylhex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide
PubChem CID21031610
Molecular FormulaC28H50N4O3
Molecular Weight490.73 g/mol
Exact Mass490.39
IUPAC NameN-[1-[[(E)-2,5-dimethyl-6-oxo-6-piperidin-1-ylhex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide
SMILESC/C(=C\C(C(C)C)N(C)C(=O)C(NC(=O)C1CCCCN1C(C)C)C(C)C)C(=O)N1CCCCC1
InChIInChI=1S/C28H50N4O3/c1-19(2)24(18-22(7)27(34)31-15-11-9-12-16-31)30(8)28(35)25(20(3)4)29-26(33)23-14-10-13-17-32(23)21(5)6/h18-21,23-25H,9-17H2,1-8H3,(H,29,33)/b22-18+
InChIKeyVBFMOTFSNXHCDB-RELWKKBWSA-N
XLogP3.83
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.73
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[1-[[(E)-2,5-dimethyl-6-oxo-6-piperidin-1-ylhex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[(E)-2,5-dimethyl-6-oxo-6-piperidin-1-ylhex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide?
The IUPAC name of N-[1-[[(E)-2,5-dimethyl-6-oxo-6-piperidin-1-ylhex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide (CID 21031610) is N-[1-[[(E)-2,5-dimethyl-6-oxo-6-piperidin-1-ylhex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide.
What is the SMILES notation for N-[1-[[(E)-2,5-dimethyl-6-oxo-6-piperidin-1-ylhex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide?
The canonical SMILES for N-[1-[[(E)-2,5-dimethyl-6-oxo-6-piperidin-1-ylhex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide is C/C(=C\C(C(C)C)N(C)C(=O)C(NC(=O)C1CCCCN1C(C)C)C(C)C)C(=O)N1CCCCC1.
What is the InChIKey of N-[1-[[(E)-2,5-dimethyl-6-oxo-6-piperidin-1-ylhex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide?
The InChIKey is VBFMOTFSNXHCDB-RELWKKBWSA-N. The full InChI is InChI=1S/C28H50N4O3/c1-19(2)24(18-22(7)27(34)31-15-11-9-12-16-31)30(8)28(35)25(20(3)4)29-26(33)23-14-10-13-17-32(23)21(5)6/h18-21,23-25H,9-17H2,1-8H3,(H,29,33)/b22-18+.
What are the key properties of N-[1-[[(E)-2,5-dimethyl-6-oxo-6-piperidin-1-ylhex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide?
N-[1-[[(E)-2,5-dimethyl-6-oxo-6-piperidin-1-ylhex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide has a molecular weight of 490.73 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(E)-2,5-dimethyl-6-oxo-6-piperidin-1-ylhex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 21031610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).