N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide

C13H23N3O — CID 107163946

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCC1(C)CCN(C)CC1
InChIInChI=1S/C13H23N3O/c1-4-7-14-10-12(17)15-11-13(2)5-8-16(3)9-6-13/h1,14H,5-11H2,2-3H3,(H,15,17)
InChIKeyMMABUKDRHNEARG-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.06
Rot. Bonds5

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide

N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide (PubChem CID 107163946) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide
PubChem CID107163946
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCC1(C)CCN(C)CC1
InChIInChI=1S/C13H23N3O/c1-4-7-14-10-12(17)15-11-13(2)5-8-16(3)9-6-13/h1,14H,5-11H2,2-3H3,(H,15,17)
InChIKeyMMABUKDRHNEARG-UHFFFAOYSA-N
XLogP0.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-dimethylbutyl)-2-piperazin-1-ylacetamide
CID 49853674
1-[[1-(3,3-Dimethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281021
(6S)-6-butan-2-yl-1-(2,2-dimethylpropyl)piperazine-2,3-dione
CID 53299341
2-[4-(Aminomethyl)piperidin-1-yl]-N,N-dimethylacetamide
CID 12132813
N1-((1-methylpiperidin-4-yl)methyl)-N2-propyloxalamide
CID 16886495
2-(Dimethylamino)-1-[4-fluoro-4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 169820158
5-Trimethyl-4-(diethylaminoacetylamino)piperidine
CID 129781627
1-(4,4-Dimethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78957861
1-(4-Ethyl-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78958001
1-(4,4-Diethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 79261789
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 104008208
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 107163532

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide (CID 107163946) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NCC1(C)CCN(C)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide?
The InChIKey is MMABUKDRHNEARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-7-14-10-12(17)15-11-13(2)5-8-16(3)9-6-13/h1,14H,5-11H2,2-3H3,(H,15,17).
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide has a molecular weight of 237.35 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 107163946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).