(2R)-2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)but-3-enamide

C13H25N3O — CID 89177256

IUPAC(2R)-2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)but-3-enamide
SMILESC=C[C@H](C(=O)N(C)C1CCN(C)CC1)N(C)C
InChIInChI=1S/C13H25N3O/c1-6-12(14(2)3)13(17)16(5)11-7-9-15(4)10-8-11/h6,11-12H,1,7-10H2,2-5H3/t12-/m1/s1
InChIKeyRDXPAXNNBCJQNW-GFCCVEGCSA-N
MW239.36 g/mol
LogP0.66
Rot. Bonds4

About (2R)-2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)but-3-enamide

(2R)-2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)but-3-enamide (PubChem CID 89177256) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)but-3-enamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)but-3-enamide
PubChem CID89177256
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(2R)-2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)but-3-enamide
SMILESC=C[C@H](C(=O)N(C)C1CCN(C)CC1)N(C)C
InChIInChI=1S/C13H25N3O/c1-6-12(14(2)3)13(17)16(5)11-7-9-15(4)10-8-11/h6,11-12H,1,7-10H2,2-5H3/t12-/m1/s1
InChIKeyRDXPAXNNBCJQNW-GFCCVEGCSA-N
XLogP0.66
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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
1,4-Dimethyl-3-prop-2-enylpiperazine-2,5-dione
CID 11401152
N-allyl-N-isopropyl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 56751437
1-Methyl-2-(piperidin-1-ylmethyl)-2,5-dihydropyridin-6-one
CID 14489646
1-[(2S)-2-Ethenylpiperidin-1-yl]propan-1-one
CID 45088951
1-But-3-enyl-4-propan-2-ylpiperazine-2,3-dione
CID 58550084
1,4-Dimethyl-3-prop-2-enylpiperazin-2-one
CID 58860707
1-(4-Methyl-4-prop-2-enylpiperazin-4-ium-1-yl)but-3-en-1-one
CID 59362043
4-Pentyl-1-prop-2-enylpiperazin-2-one
CID 68905852
(2R)-2-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-methylbut-3-enamide
CID 89177251
(2R)-2-(methylamino)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)but-3-en-1-one
CID 89291324
(2R)-2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-methylbut-3-enamide
CID 89291325

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)but-3-enamide?
The IUPAC name of (2R)-2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)but-3-enamide (CID 89177256) is (2R)-2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)but-3-enamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)but-3-enamide?
The canonical SMILES for (2R)-2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)but-3-enamide is C=C[C@H](C(=O)N(C)C1CCN(C)CC1)N(C)C.
What is the InChIKey of (2R)-2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)but-3-enamide?
The InChIKey is RDXPAXNNBCJQNW-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-12(14(2)3)13(17)16(5)11-7-9-15(4)10-8-11/h6,11-12H,1,7-10H2,2-5H3/t12-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)but-3-enamide?
(2R)-2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)but-3-enamide has a molecular weight of 239.36 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)but-3-enamide is sourced from PubChem (CID 89177256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).