1-(2,2-dimethylpropyl)-4-[(2-methoxyacetyl)amino]-N,N-dimethylpiperidine-3-carboxamide

C16H31N3O3 — CID 156601816

IUPAC1-(2,2-dimethylpropyl)-4-[(2-methoxyacetyl)amino]-N,N-dimethylpiperidine-3-carboxamide
SMILESCOCC(=O)NC1CCN(CC(C)(C)C)CC1C(=O)N(C)C
InChIInChI=1S/C16H31N3O3/c1-16(2,3)11-19-8-7-13(17-14(20)10-22-6)12(9-19)15(21)18(4)5/h12-13H,7-11H2,1-6H3,(H,17,20)
InChIKeyYVABSHFQTKIQNM-UHFFFAOYSA-N
MW313.44 g/mol
LogP0.57
Rot. Bonds5

About 1-(2,2-dimethylpropyl)-4-[(2-methoxyacetyl)amino]-N,N-dimethylpiperidine-3-carboxamide

1-(2,2-dimethylpropyl)-4-[(2-methoxyacetyl)amino]-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 156601816) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-[(2-methoxyacetyl)amino]-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-[(2-methoxyacetyl)amino]-N,N-dimethylpiperidine-3-carboxamide
PubChem CID156601816
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Name1-(2,2-dimethylpropyl)-4-[(2-methoxyacetyl)amino]-N,N-dimethylpiperidine-3-carboxamide
SMILESCOCC(=O)NC1CCN(CC(C)(C)C)CC1C(=O)N(C)C
InChIInChI=1S/C16H31N3O3/c1-16(2,3)11-19-8-7-13(17-14(20)10-22-6)12(9-19)15(21)18(4)5/h12-13H,7-11H2,1-6H3,(H,17,20)
InChIKeyYVABSHFQTKIQNM-UHFFFAOYSA-N
XLogP0.57
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N-(2-isopropoxyethyl)-6-oxo-3-piperidinecarboxamide
CID 45168598
1-cyclopentyl-N-(2-methoxy-2-methylpropyl)-6-oxo-3-piperidinecarboxamide
CID 45191029
N-[7-(cyclobutanecarbonyl)-7-azaspiro[3.5]nonan-3-yl]-2-methoxyacetamide
CID 110197921
2-methoxy-N-[7-(3-methylbutanoyl)-7-azaspiro[3.5]nonan-3-yl]acetamide
CID 124075311
(3S)-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 94164989
N-cyclohexyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide
CID 56165257
N-[1-(2-Methoxyethyl)piperidin-4-YL]cyclobutanecarboxamide
CID 48431904
1-(methoxyacetyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 50979433
(3S,4R)-4-[(2-methoxyacetyl)amino]-N,N-dimethyl-1-neopentylhexahydro-3-pyridinecarboxamide
CID 87051787
N-(6-aminohexyl)-4-(3-methylbutanoyl)morpholine-2-carboxamide
CID 11709417
N-(2-Methoxyethyl)piperidine-3-carboxamide
CID 18072310
(S)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 28162916

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-[(2-methoxyacetyl)amino]-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-[(2-methoxyacetyl)amino]-N,N-dimethylpiperidine-3-carboxamide (CID 156601816) is 1-(2,2-dimethylpropyl)-4-[(2-methoxyacetyl)amino]-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-[(2-methoxyacetyl)amino]-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-[(2-methoxyacetyl)amino]-N,N-dimethylpiperidine-3-carboxamide is COCC(=O)NC1CCN(CC(C)(C)C)CC1C(=O)N(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-[(2-methoxyacetyl)amino]-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is YVABSHFQTKIQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-16(2,3)11-19-8-7-13(17-14(20)10-22-6)12(9-19)15(21)18(4)5/h12-13H,7-11H2,1-6H3,(H,17,20).
What are the key properties of 1-(2,2-dimethylpropyl)-4-[(2-methoxyacetyl)amino]-N,N-dimethylpiperidine-3-carboxamide?
1-(2,2-dimethylpropyl)-4-[(2-methoxyacetyl)amino]-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-[(2-methoxyacetyl)amino]-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 156601816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).