2-(4-amino-2-methylpiperidin-1-yl)-N-prop-2-ynylacetamide

C11H19N3O — CID 115313218

IUPAC2-(4-amino-2-methylpiperidin-1-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN1CCC(N)CC1C
InChIInChI=1S/C11H19N3O/c1-3-5-13-11(15)8-14-6-4-10(12)7-9(14)2/h1,9-10H,4-8,12H2,2H3,(H,13,15)
InChIKeyWOUUJDPHFQIHHX-UHFFFAOYSA-N
MW209.29 g/mol
LogP-0.45
Rot. Bonds3

About 2-(4-amino-2-methylpiperidin-1-yl)-N-prop-2-ynylacetamide

2-(4-amino-2-methylpiperidin-1-yl)-N-prop-2-ynylacetamide (PubChem CID 115313218) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(4-amino-2-methylpiperidin-1-yl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-methylpiperidin-1-yl)-N-prop-2-ynylacetamide
PubChem CID115313218
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(4-amino-2-methylpiperidin-1-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN1CCC(N)CC1C
InChIInChI=1S/C11H19N3O/c1-3-5-13-11(15)8-14-6-4-10(12)7-9(14)2/h1,9-10H,4-8,12H2,2H3,(H,13,15)
InChIKeyWOUUJDPHFQIHHX-UHFFFAOYSA-N
XLogP-0.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 102785060
propan-2-yl 2-(4-amino-2-methylpiperidin-1-yl)acetate
CID 115313197
1-(2-bromoprop-2-enyl)-2-methylpiperidin-4-amine
CID 115313002
2-(4-amino-2-methylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide
CID 115313084
2-(2,5-dimethylpiperazin-1-yl)-N-prop-2-ynylacetamide
CID 64980630
2-methyl-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 106745088
1-(3-chloro-2-methylprop-2-enyl)-2-methylpiperidin-4-amine
CID 106439515
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylacetamide
CID 30958664
methyl 4-(4-amino-2-methylpiperidin-1-yl)butanoate
CID 115313229
2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]-1,4-diazepan-1-yl]-N-prop-2-ynylacetamide
CID 31313709
2-(4-amino-2-methylpiperidin-1-yl)acetonitrile
CID 115313042
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 115648213

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylpiperidin-1-yl)-N-prop-2-ynylacetamide?
The IUPAC name of 2-(4-amino-2-methylpiperidin-1-yl)-N-prop-2-ynylacetamide (CID 115313218) is 2-(4-amino-2-methylpiperidin-1-yl)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(4-amino-2-methylpiperidin-1-yl)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(4-amino-2-methylpiperidin-1-yl)-N-prop-2-ynylacetamide is C#CCNC(=O)CN1CCC(N)CC1C.
What is the InChIKey of 2-(4-amino-2-methylpiperidin-1-yl)-N-prop-2-ynylacetamide?
The InChIKey is WOUUJDPHFQIHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-5-13-11(15)8-14-6-4-10(12)7-9(14)2/h1,9-10H,4-8,12H2,2H3,(H,13,15).
What are the key properties of 2-(4-amino-2-methylpiperidin-1-yl)-N-prop-2-ynylacetamide?
2-(4-amino-2-methylpiperidin-1-yl)-N-prop-2-ynylacetamide has a molecular weight of 209.29 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylpiperidin-1-yl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 115313218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).