2-(tert-butylamino)-1-(4-phenoxypiperidin-1-yl)ethanone

C17H26N2O2 — CID 78986936

IUPAC2-(tert-butylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
SMILESCC(C)(C)NCC(=O)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)18-13-16(20)19-11-9-15(10-12-19)21-14-7-5-4-6-8-14/h4-8,15,18H,9-13H2,1-3H3
InChIKeyNAYXJHVKJLJBTC-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.44
Rot. Bonds4

About 2-(tert-butylamino)-1-(4-phenoxypiperidin-1-yl)ethanone

2-(tert-butylamino)-1-(4-phenoxypiperidin-1-yl)ethanone (PubChem CID 78986936) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(4-phenoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
PubChem CID78986936
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(tert-butylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
SMILESCC(C)(C)NCC(=O)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)18-13-16(20)19-11-9-15(10-12-19)21-14-7-5-4-6-8-14/h4-8,15,18H,9-13H2,1-3H3
InChIKeyNAYXJHVKJLJBTC-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
CID 60858362
2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
CID 60858856
1-(4-phenoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 79287472
2-ethoxy-1-(4-phenoxypiperidin-1-yl)ethanone
CID 61381248
5-bromo-1-(4-phenoxypiperidin-1-yl)pentan-1-one
CID 107909079
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120589033
2-(2,3-dihydro-1,3-benzoxazol-6-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
CID 141064604
N-ethyl-2,2-dimethyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide
CID 109427329
1-(4-phenoxypiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119725118
methyl 3-phenoxypyrrolidine-1-carboxylate
CID 58171478
(2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
CID 79013212

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(4-phenoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(tert-butylamino)-1-(4-phenoxypiperidin-1-yl)ethanone (CID 78986936) is 2-(tert-butylamino)-1-(4-phenoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-(4-phenoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-(4-phenoxypiperidin-1-yl)ethanone is CC(C)(C)NCC(=O)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of 2-(tert-butylamino)-1-(4-phenoxypiperidin-1-yl)ethanone?
The InChIKey is NAYXJHVKJLJBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)18-13-16(20)19-11-9-15(10-12-19)21-14-7-5-4-6-8-14/h4-8,15,18H,9-13H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-(4-phenoxypiperidin-1-yl)ethanone?
2-(tert-butylamino)-1-(4-phenoxypiperidin-1-yl)ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(4-phenoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 78986936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).