2-(methylamino)-1-(4-methylidenepiperidin-1-yl)propan-1-one

C10H18N2O — CID 127006772

IUPAC2-(methylamino)-1-(4-methylidenepiperidin-1-yl)propan-1-one
SMILESC=C1CCN(C(=O)C(C)NC)CC1
InChIInChI=1S/C10H18N2O/c1-8-4-6-12(7-5-8)10(13)9(2)11-3/h9,11H,1,4-7H2,2-3H3
InChIKeyGYKVGIMBXMWLTG-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.77
Rot. Bonds2

About 2-(methylamino)-1-(4-methylidenepiperidin-1-yl)propan-1-one

2-(methylamino)-1-(4-methylidenepiperidin-1-yl)propan-1-one (PubChem CID 127006772) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(methylamino)-1-(4-methylidenepiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(methylamino)-1-(4-methylidenepiperidin-1-yl)propan-1-one
PubChem CID127006772
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(methylamino)-1-(4-methylidenepiperidin-1-yl)propan-1-one
SMILESC=C1CCN(C(=O)C(C)NC)CC1
InChIInChI=1S/C10H18N2O/c1-8-4-6-12(7-5-8)10(13)9(2)11-3/h9,11H,1,4-7H2,2-3H3
InChIKeyGYKVGIMBXMWLTG-UHFFFAOYSA-N
XLogP0.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(azetidin-1-yl)-2-(methylamino)propan-1-one
CID 130546947
ethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate
CID 60718933
2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid
CID 62638618
1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(methylamino)propan-1-one
CID 62637512
2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid
CID 79615727
1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 62639706
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methylamino)propan-1-one
CID 60719002
2-(3,4-dichlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one
CID 56570508
2-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 62636980
(2S)-2-(methylamino)-1-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)propan-1-one;hydrochloride
CID 154924181
3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one
CID 104788696
acetic acid;(2S)-1-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-(methylamino)propan-1-one
CID 171712660

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(4-methylidenepiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(methylamino)-1-(4-methylidenepiperidin-1-yl)propan-1-one (CID 127006772) is 2-(methylamino)-1-(4-methylidenepiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(methylamino)-1-(4-methylidenepiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(methylamino)-1-(4-methylidenepiperidin-1-yl)propan-1-one is C=C1CCN(C(=O)C(C)NC)CC1.
What is the InChIKey of 2-(methylamino)-1-(4-methylidenepiperidin-1-yl)propan-1-one?
The InChIKey is GYKVGIMBXMWLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8-4-6-12(7-5-8)10(13)9(2)11-3/h9,11H,1,4-7H2,2-3H3.
What are the key properties of 2-(methylamino)-1-(4-methylidenepiperidin-1-yl)propan-1-one?
2-(methylamino)-1-(4-methylidenepiperidin-1-yl)propan-1-one has a molecular weight of 182.27 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(4-methylidenepiperidin-1-yl)propan-1-one is sourced from PubChem (CID 127006772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).