2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-prop-2-enylacetamide

C12H23N3O — CID 115305403

IUPAC2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(C)(NC)CC1
InChIInChI=1S/C12H23N3O/c1-4-7-14-11(16)10-15-8-5-12(2,13-3)6-9-15/h4,13H,1,5-10H2,2-3H3,(H,14,16)
InChIKeyTYJYOTIBNLQLKH-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.36
Rot. Bonds5

About 2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-prop-2-enylacetamide

2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-prop-2-enylacetamide (PubChem CID 115305403) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-prop-2-enylacetamide
PubChem CID115305403
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(C)(NC)CC1
InChIInChI=1S/C12H23N3O/c1-4-7-14-11(16)10-15-8-5-12(2,13-3)6-9-15/h4,13H,1,5-10H2,2-3H3,(H,14,16)
InChIKeyTYJYOTIBNLQLKH-UHFFFAOYSA-N
XLogP0.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[[1-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
CID 18449289
N~1~-allyl-N~2~-(4-piperidinylmethyl)ethanediamide
CID 565272
1-[4-(Prop-2-enylamino)piperidin-1-yl]ethanone
CID 43222826
2-(Prop-2-enylamino)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 79278243
2,2-dimethyl-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]propanamide
CID 3220787
2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylacetamide
CID 3229544
N1-allyl-N2-((1-methylpiperidin-4-yl)methyl)oxalamide
CID 16886496
(3S)-3-butan-2-yl-5-ethyl-1-prop-2-enylpiperazine-2,6-dione
CID 21586962
N-Allyl-N-(4-piperidinyl)acetamide
CID 23369956
2-(4-aminopiperidin-1-yl)-N-prop-2-enylacetamide
CID 43556590
3,3-Dimethyl-1-prop-2-enylpiperazin-2-one
CID 54177837
4-[Bis(prop-2-enyl)amino]piperidine-4-carboxamide
CID 67674483

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-prop-2-enylacetamide (CID 115305403) is 2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCC(C)(NC)CC1.
What is the InChIKey of 2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is TYJYOTIBNLQLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-7-14-11(16)10-15-8-5-12(2,13-3)6-9-15/h4,13H,1,5-10H2,2-3H3,(H,14,16).
What are the key properties of 2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-prop-2-enylacetamide?
2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 225.34 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 115305403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).