tert-butyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate

C14H27N3O3 — CID 75444294

IUPACtert-butyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate
SMILESCN(C)C(=O)N1CCC(NCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)20-12(18)10-15-11-6-8-17(9-7-11)13(19)16(4)5/h11,15H,6-10H2,1-5H3
InChIKeyKWVUVPIQUORAOK-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.06
Rot. Bonds3

About tert-butyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate

tert-butyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate (PubChem CID 75444294) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate
PubChem CID75444294
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nametert-butyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate
SMILESCN(C)C(=O)N1CCC(NCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)20-12(18)10-15-11-6-8-17(9-7-11)13(19)16(4)5/h11,15H,6-10H2,1-5H3
InChIKeyKWVUVPIQUORAOK-UHFFFAOYSA-N
XLogP1.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate
CID 83224585
4-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 83201902
tert-butyl N-[2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108558901
4-(cyclopropylmethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 115307162
tert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate
CID 81462946
tert-butyl N-[3-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108558938
4-(but-3-ynylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83262365
2-[(3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrrolidin-1-yl]acetic acid
CID 121230383
tert-butyl N-[2-cyclopropyl-2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]ethyl]carbamate
CID 113350804
N,N-dimethyl-4-(oxan-4-ylmethylamino)piperidine-1-carboxamide
CID 83202827
N,N-dimethyl-4-(2,4,4-trimethylpentan-2-ylamino)piperidine-1-carboxamide
CID 83262362
tert-butyl 2-[(3-methylcyclopentyl)amino]acetate
CID 58369136

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate?
The IUPAC name of tert-butyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate (CID 75444294) is tert-butyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate is CN(C)C(=O)N1CCC(NCC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate?
The InChIKey is KWVUVPIQUORAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-14(2,3)20-12(18)10-15-11-6-8-17(9-7-11)13(19)16(4)5/h11,15H,6-10H2,1-5H3.
What are the key properties of tert-butyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate?
tert-butyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate has a molecular weight of 285.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate is sourced from PubChem (CID 75444294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).