2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide

C12H23N3O — CID 63249808

IUPAC2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCCCC1CNC
InChIInChI=1S/C12H23N3O/c1-3-7-14-12(16)10-15-8-5-4-6-11(15)9-13-2/h3,11,13H,1,4-10H2,2H3,(H,14,16)
InChIKeyIKPNZLYDKJFFNC-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.36
Rot. Bonds6

About 2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide

2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide (PubChem CID 63249808) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide
PubChem CID63249808
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCCCC1CNC
InChIInChI=1S/C12H23N3O/c1-3-7-14-12(16)10-15-8-5-4-6-11(15)9-13-2/h3,11,13H,1,4-10H2,2H3,(H,14,16)
InChIKeyIKPNZLYDKJFFNC-UHFFFAOYSA-N
XLogP0.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(prop-2-en-1-yl)ethanediamide
CID 3156727
2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide
CID 8893273
(6S)-6-(4-aminobutyl)-1-butylpiperazine-2,3-dione
CID 23640881
(6R)-1,6-dibutylpiperazine-2,3-dione
CID 53299351
N-allyl-4-methyl-piperazine-1-carboxyamide
CID 3229441
3-Methyl-1-(prop-2-en-1-yl)piperazin-2-one
CID 20099299
N-allyl-N'-cycloheptylethanediamide
CID 2289583
2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide
CID 3229462
2-[cyclohexyl(methyl)amino]-N-prop-2-enylacetamide
CID 51072753
N-cyclopropyl-2-[4-(2,5-dihydropyrrol-1-yl)piperidin-1-yl]propanamide
CID 72111255
1-[(2S,4S,5S)-5-amino-4-fluoro-2-methylpiperidin-1-yl]prop-2-en-1-one
CID 170117100
1-[(2R,4R,5R)-5-amino-4-fluoro-2-methylpiperidin-1-yl]prop-2-en-1-one
CID 170117101

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide (CID 63249808) is 2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCCCC1CNC.
What is the InChIKey of 2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is IKPNZLYDKJFFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-7-14-12(16)10-15-8-5-4-6-11(15)9-13-2/h3,11,13H,1,4-10H2,2H3,(H,14,16).
What are the key properties of 2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide?
2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 225.34 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)piperidin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 63249808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).