2-(2-methylpiperidin-1-yl)-2-oxo-N-propan-2-yl-N-prop-2-enylacetamide

C14H24N2O2 — CID 56751437

IUPAC2-(2-methylpiperidin-1-yl)-2-oxo-N-propan-2-yl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)C(=O)N1CCCCC1C)C(C)C
InChIInChI=1S/C14H24N2O2/c1-5-9-15(11(2)3)13(17)14(18)16-10-7-6-8-12(16)4/h5,11-12H,1,6-10H2,2-4H3
InChIKeyPERHPMDPGHYGPH-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.81
Rot. Bonds3

About 2-(2-methylpiperidin-1-yl)-2-oxo-N-propan-2-yl-N-prop-2-enylacetamide

2-(2-methylpiperidin-1-yl)-2-oxo-N-propan-2-yl-N-prop-2-enylacetamide (PubChem CID 56751437) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)-2-oxo-N-propan-2-yl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)-2-oxo-N-propan-2-yl-N-prop-2-enylacetamide
PubChem CID56751437
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-(2-methylpiperidin-1-yl)-2-oxo-N-propan-2-yl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)C(=O)N1CCCCC1C)C(C)C
InChIInChI=1S/C14H24N2O2/c1-5-9-15(11(2)3)13(17)14(18)16-10-7-6-8-12(16)4/h5,11-12H,1,6-10H2,2-4H3
InChIKeyPERHPMDPGHYGPH-UHFFFAOYSA-N
XLogP1.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyclohexylpiperazin-1-yl)-N,N-bis(prop-2-enyl)propanamide
CID 3229539
N-methyl-N-[2-oxo-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-enamide
CID 167773935
1-Cyclohexyl-4-(3-methylbut-2-enoyl)piperazin-2-one
CID 56744771
N-(2-piperidin-1-ylethyl)-N-propan-2-ylprop-2-enamide
CID 20336936
1-[2-[(Dimethylamino)methyl]piperidin-1-yl]prop-2-en-1-one
CID 23034763
1-But-3-enyl-4-propan-2-ylpiperazine-2,3-dione
CID 58550084
1-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]ethanone
CID 59854585
N-methyl-N-(1-methylpiperidin-3-yl)prop-2-enamide
CID 62546586
1-[3-(Dimethylamino)piperidin-1-yl]prop-2-en-1-one
CID 65958983
4-Pentyl-1-prop-2-enylpiperazin-2-one
CID 68905852
1-Pentyl-4-prop-2-enylpiperazine-2,3,5,6-tetrone
CID 69966463
(2R)-2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)but-3-enamide
CID 89177256

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)-2-oxo-N-propan-2-yl-N-prop-2-enylacetamide?
The IUPAC name of 2-(2-methylpiperidin-1-yl)-2-oxo-N-propan-2-yl-N-prop-2-enylacetamide (CID 56751437) is 2-(2-methylpiperidin-1-yl)-2-oxo-N-propan-2-yl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)-2-oxo-N-propan-2-yl-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)-2-oxo-N-propan-2-yl-N-prop-2-enylacetamide is C=CCN(C(=O)C(=O)N1CCCCC1C)C(C)C.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)-2-oxo-N-propan-2-yl-N-prop-2-enylacetamide?
The InChIKey is PERHPMDPGHYGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-9-15(11(2)3)13(17)14(18)16-10-7-6-8-12(16)4/h5,11-12H,1,6-10H2,2-4H3.
What are the key properties of 2-(2-methylpiperidin-1-yl)-2-oxo-N-propan-2-yl-N-prop-2-enylacetamide?
2-(2-methylpiperidin-1-yl)-2-oxo-N-propan-2-yl-N-prop-2-enylacetamide has a molecular weight of 252.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)-2-oxo-N-propan-2-yl-N-prop-2-enylacetamide is sourced from PubChem (CID 56751437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).