1-piperidin-1-yl-2-(2,3,3-trimethylbutylamino)ethanone

C14H28N2O — CID 83143576

IUPAC1-piperidin-1-yl-2-(2,3,3-trimethylbutylamino)ethanone
SMILESCC(CNCC(=O)N1CCCCC1)C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-12(14(2,3)4)10-15-11-13(17)16-8-6-5-7-9-16/h12,15H,5-11H2,1-4H3
InChIKeyCTTZWRPAKKVILV-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.27
Rot. Bonds4

About 1-piperidin-1-yl-2-(2,3,3-trimethylbutylamino)ethanone

1-piperidin-1-yl-2-(2,3,3-trimethylbutylamino)ethanone (PubChem CID 83143576) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(2,3,3-trimethylbutylamino)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(2,3,3-trimethylbutylamino)ethanone
PubChem CID83143576
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-piperidin-1-yl-2-(2,3,3-trimethylbutylamino)ethanone
SMILESCC(CNCC(=O)N1CCCCC1)C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-12(14(2,3)4)10-15-11-13(17)16-8-6-5-7-9-16/h12,15H,5-11H2,1-4H3
InChIKeyCTTZWRPAKKVILV-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone
CID 62691599
2-[(3-hydroxy-2-methylpropyl)amino]-1-piperidin-1-ylethanone
CID 65036162
N-(2,3,3-trimethylbutyl)pyrrolidine-1-carboxamide
CID 115629639
1-(azepan-1-yl)-2-(3,3-dimethylbutan-2-ylamino)ethanone
CID 115626974
2-(2-ethylbutylamino)-1-piperidin-1-ylethanone
CID 115756524
2-[(2-oxo-2-piperidin-1-ylethyl)amino]-N-propan-2-ylacetamide
CID 43402015
3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 114167213
N-cyclohexyl-2-(2,3,3-trimethylbutylamino)acetamide
CID 83143830
1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28596000
2-(3-methylbutan-2-ylamino)-1-piperidin-1-ylethanone
CID 43086362
N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86828606
1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone
CID 115573496

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(2,3,3-trimethylbutylamino)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(2,3,3-trimethylbutylamino)ethanone (CID 83143576) is 1-piperidin-1-yl-2-(2,3,3-trimethylbutylamino)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(2,3,3-trimethylbutylamino)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(2,3,3-trimethylbutylamino)ethanone is CC(CNCC(=O)N1CCCCC1)C(C)(C)C.
What is the InChIKey of 1-piperidin-1-yl-2-(2,3,3-trimethylbutylamino)ethanone?
The InChIKey is CTTZWRPAKKVILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(14(2,3)4)10-15-11-13(17)16-8-6-5-7-9-16/h12,15H,5-11H2,1-4H3.
What are the key properties of 1-piperidin-1-yl-2-(2,3,3-trimethylbutylamino)ethanone?
1-piperidin-1-yl-2-(2,3,3-trimethylbutylamino)ethanone has a molecular weight of 240.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(2,3,3-trimethylbutylamino)ethanone is sourced from PubChem (CID 83143576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).