N-[2-[[(E)-6-(2-fluoroethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-4-methylpent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide

C26H47FN4O2 — CID 88892554

IUPACN-[2-[[(E)-6-(2-fluoroethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-4-methylpent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide
SMILESC=C(C(NC(=O)C1CCCCN1C(C)C)C(C)C)N(C)C(/C=C(\C)C(=O)NCCF)C(C)C
InChIInChI=1S/C26H47FN4O2/c1-17(2)23(16-20(7)25(32)28-14-13-27)30(9)21(8)24(18(3)4)29-26(33)22-12-10-11-15-31(22)19(5)6/h16-19,22-24H,8,10-15H2,1-7,9H3,(H,28,32)(H,29,33)/b20-16+
InChIKeyKMWKGTNIXMINGL-CAPFRKAQSA-N
MW466.69 g/mol
LogP3.89
Rot. Bonds12

About N-[2-[[(E)-6-(2-fluoroethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-4-methylpent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide

N-[2-[[(E)-6-(2-fluoroethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-4-methylpent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide (PubChem CID 88892554) has the molecular formula C26H47FN4O2 and a molecular weight of 466.69 g/mol. Its IUPAC name is N-[2-[[(E)-6-(2-fluoroethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-4-methylpent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(E)-6-(2-fluoroethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-4-methylpent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide
PubChem CID88892554
Molecular FormulaC26H47FN4O2
Molecular Weight466.69 g/mol
Exact Mass466.37
IUPAC NameN-[2-[[(E)-6-(2-fluoroethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-4-methylpent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide
SMILESC=C(C(NC(=O)C1CCCCN1C(C)C)C(C)C)N(C)C(/C=C(\C)C(=O)NCCF)C(C)C
InChIInChI=1S/C26H47FN4O2/c1-17(2)23(16-20(7)25(32)28-14-13-27)30(9)21(8)24(18(3)4)29-26(33)22-12-10-11-15-31(22)19(5)6/h16-19,22-24H,8,10-15H2,1-7,9H3,(H,28,32)(H,29,33)/b20-16+
InChIKeyKMWKGTNIXMINGL-CAPFRKAQSA-N
XLogP3.89
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.69
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[[(E)-6-(2-fluoroethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-4-methylpent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-6-(2-fluoroethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-4-methylpent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide?
The IUPAC name of N-[2-[[(E)-6-(2-fluoroethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-4-methylpent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide (CID 88892554) is N-[2-[[(E)-6-(2-fluoroethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-4-methylpent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide.
What is the SMILES notation for N-[2-[[(E)-6-(2-fluoroethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-4-methylpent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide?
The canonical SMILES for N-[2-[[(E)-6-(2-fluoroethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-4-methylpent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide is C=C(C(NC(=O)C1CCCCN1C(C)C)C(C)C)N(C)C(/C=C(\C)C(=O)NCCF)C(C)C.
What is the InChIKey of N-[2-[[(E)-6-(2-fluoroethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-4-methylpent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide?
The InChIKey is KMWKGTNIXMINGL-CAPFRKAQSA-N. The full InChI is InChI=1S/C26H47FN4O2/c1-17(2)23(16-20(7)25(32)28-14-13-27)30(9)21(8)24(18(3)4)29-26(33)22-12-10-11-15-31(22)19(5)6/h16-19,22-24H,8,10-15H2,1-7,9H3,(H,28,32)(H,29,33)/b20-16+.
What are the key properties of N-[2-[[(E)-6-(2-fluoroethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-4-methylpent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide?
N-[2-[[(E)-6-(2-fluoroethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-4-methylpent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide has a molecular weight of 466.69 g/mol, XLogP of 3.89, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-6-(2-fluoroethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-4-methylpent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 88892554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).