3-(tert-butylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one

C14H28N2O — CID 54873639

IUPAC3-(tert-butylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCN(C(=O)CCNC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-5-12-7-10-16(11-8-12)13(17)6-9-15-14(2,3)4/h12,15H,5-11H2,1-4H3
InChIKeyDVCLBONJPGMREN-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.41
Rot. Bonds4

About 3-(tert-butylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one

3-(tert-butylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one (PubChem CID 54873639) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(tert-butylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(tert-butylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
PubChem CID54873639
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-(tert-butylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCN(C(=O)CCNC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-5-12-7-10-16(11-8-12)13(17)6-9-15-14(2,3)4/h12,15H,5-11H2,1-4H3
InChIKeyDVCLBONJPGMREN-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-acetylpiperazin-1-yl)-3-(tert-butylamino)propan-1-one
CID 60894223
3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 94896146
1-[4-[3-(tert-butylamino)propanoyl]piperazin-1-yl]-4,4-dimethylpentan-1-one
CID 167119689
3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one
CID 61430295
3-(tert-butylamino)-1-(4-propylpiperazin-1-yl)propan-1-one
CID 60849525
1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 70906866
1-[3-(tert-butylamino)propanoyl]piperidine-3,4-dicarboxylic acid
CID 115918606
3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 58662028
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088
4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide
CID 54916794
3-(tert-butylamino)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 60851640
1-(4-ethylpiperidin-1-yl)-2-(methylamino)ethanone
CID 60963767

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(tert-butylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one (CID 54873639) is 3-(tert-butylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(tert-butylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(tert-butylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one is CCC1CCN(C(=O)CCNC(C)(C)C)CC1.
What is the InChIKey of 3-(tert-butylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one?
The InChIKey is DVCLBONJPGMREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-12-7-10-16(11-8-12)13(17)6-9-15-14(2,3)4/h12,15H,5-11H2,1-4H3.
What are the key properties of 3-(tert-butylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one?
3-(tert-butylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 54873639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).