2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one

C12H22N2O — CID 169181796

IUPAC2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one
SMILESC=C(NC)C(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-9(2)11-5-7-14(8-6-11)12(15)10(3)13-4/h9,11,13H,3,5-8H2,1-2,4H3
InChIKeyCHQQCAQKZPKJKK-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.61
Rot. Bonds3

About 2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one

2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one (PubChem CID 169181796) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one
PubChem CID169181796
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one
SMILESC=C(NC)C(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-9(2)11-5-7-14(8-6-11)12(15)10(3)13-4/h9,11,13H,3,5-8H2,1-2,4H3
InChIKeyCHQQCAQKZPKJKK-UHFFFAOYSA-N
XLogP1.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 91076591
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 59542495
1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione
CID 103500750
ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate
CID 143709693
N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide
CID 58688988
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 90251705
2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818
2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-oxoacetic acid
CID 124680668
2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid
CID 103500513
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 90077533

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one?
The IUPAC name of 2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one (CID 169181796) is 2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one.
What is the SMILES notation for 2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one?
The canonical SMILES for 2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one is C=C(NC)C(=O)N1CCC(C(C)C)CC1.
What is the InChIKey of 2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one?
The InChIKey is CHQQCAQKZPKJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)11-5-7-14(8-6-11)12(15)10(3)13-4/h9,11,13H,3,5-8H2,1-2,4H3.
What are the key properties of 2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one?
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 169181796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).