(E)-2-methyl-6-[methyl-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]amino]hex-4-en-3-one

C16H29N3O2 — CID 142388339

IUPAC(E)-2-methyl-6-[methyl-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]amino]hex-4-en-3-one
SMILESCNC1CCCN(C(=O)CN(C)C/C=C/C(=O)C(C)C)C1
InChIInChI=1S/C16H29N3O2/c1-13(2)15(20)8-6-9-18(4)12-16(21)19-10-5-7-14(11-19)17-3/h6,8,13-14,17H,5,7,9-12H2,1-4H3/b8-6+
InChIKeyWTGICZVLOINGLQ-SOFGYWHQSA-N
MW295.43 g/mol
LogP0.91
Rot. Bonds7

About (E)-2-methyl-6-[methyl-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]amino]hex-4-en-3-one

(E)-2-methyl-6-[methyl-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]amino]hex-4-en-3-one (PubChem CID 142388339) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (E)-2-methyl-6-[methyl-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]amino]hex-4-en-3-one.

Molecular Properties

Compound Name(E)-2-methyl-6-[methyl-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]amino]hex-4-en-3-one
PubChem CID142388339
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name(E)-2-methyl-6-[methyl-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]amino]hex-4-en-3-one
SMILESCNC1CCCN(C(=O)CN(C)C/C=C/C(=O)C(C)C)C1
InChIInChI=1S/C16H29N3O2/c1-13(2)15(20)8-6-9-18(4)12-16(21)19-10-5-7-14(11-19)17-3/h6,8,13-14,17H,5,7,9-12H2,1-4H3/b8-6+
InChIKeyWTGICZVLOINGLQ-SOFGYWHQSA-N
XLogP0.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]methanesulfonamide;hydrochloride
CID 119491039
N-methyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]ethanesulfonamide
CID 119489915
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 58168404
2-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260330
2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119488548
1-[3-(methylamino)piperidin-1-yl]-2-(3-methylbutylsulfanyl)ethanone
CID 119492055
1-[3-(methylamino)piperidin-1-yl]hex-5-en-1-one;dihydrochloride
CID 119493166
(3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide
CID 94475900
1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone
CID 119491030
1-[(3S)-3-(methylamino)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 124574868
1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride
CID 119491029

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-6-[methyl-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]amino]hex-4-en-3-one?
The IUPAC name of (E)-2-methyl-6-[methyl-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]amino]hex-4-en-3-one (CID 142388339) is (E)-2-methyl-6-[methyl-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]amino]hex-4-en-3-one.
What is the SMILES notation for (E)-2-methyl-6-[methyl-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]amino]hex-4-en-3-one?
The canonical SMILES for (E)-2-methyl-6-[methyl-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]amino]hex-4-en-3-one is CNC1CCCN(C(=O)CN(C)C/C=C/C(=O)C(C)C)C1.
What is the InChIKey of (E)-2-methyl-6-[methyl-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]amino]hex-4-en-3-one?
The InChIKey is WTGICZVLOINGLQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-13(2)15(20)8-6-9-18(4)12-16(21)19-10-5-7-14(11-19)17-3/h6,8,13-14,17H,5,7,9-12H2,1-4H3/b8-6+.
What are the key properties of (E)-2-methyl-6-[methyl-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]amino]hex-4-en-3-one?
(E)-2-methyl-6-[methyl-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]amino]hex-4-en-3-one has a molecular weight of 295.43 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-6-[methyl-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]amino]hex-4-en-3-one is sourced from PubChem (CID 142388339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).