2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide

C14H29N3O — CID 118531599

IUPAC2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-14(2,3)17-9-7-12(8-10-17)16(6)11-13(18)15(4)5/h12H,7-11H2,1-6H3
InChIKeyWKLGJXCTNCLKQI-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.27
Rot. Bonds3

About 2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide

2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide (PubChem CID 118531599) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide
PubChem CID118531599
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-14(2,3)17-9-7-12(8-10-17)16(6)11-13(18)15(4)5/h12H,7-11H2,1-6H3
InChIKeyWKLGJXCTNCLKQI-UHFFFAOYSA-N
XLogP1.27
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]acetamide
CID 79122060
4-[(1-tert-butylpiperidin-4-yl)-methylamino]butanamide
CID 118531389
2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 118531626
1-tert-butyl-N-(2,2-difluoropropyl)-N-methylpiperidin-4-amine
CID 118531508
N,N-dimethyl-2-[methyl-[1-[2,5,5-trimethyl-7-[[(3S)-oxolan-3-yl]amino]heptan-2-yl]piperidin-4-yl]amino]acetamide
CID 126724832
4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide
CID 176630030
N,N-dimethyl-2-[methyl-(5-methylpiperidin-3-yl)amino]acetamide
CID 115373384
3,3-dimethyl-1-[4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidin-1-yl]butan-1-one
CID 140912225
ethyl (E)-3-(1-tert-butylpiperidin-4-yl)prop-2-enoate
CID 141280258
4-amino-3-(4-tert-butylpiperazin-1-yl)-N,N-dimethylbutanamide
CID 66432276
(3S)-1-tert-butyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine
CID 166567303
N-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80548281

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide (CID 118531599) is 2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)C1CCN(C(C)(C)C)CC1.
What is the InChIKey of 2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide?
The InChIKey is WKLGJXCTNCLKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-14(2,3)17-9-7-12(8-10-17)16(6)11-13(18)15(4)5/h12H,7-11H2,1-6H3.
What are the key properties of 2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide?
2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide has a molecular weight of 255.41 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 118531599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).