2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone

C17H26N2O2 — CID 60858856

IUPAC2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
SMILESCCC(C)NCC(=O)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-3-14(2)18-13-17(20)19-11-9-16(10-12-19)21-15-7-5-4-6-8-15/h4-8,14,16,18H,3,9-13H2,1-2H3
InChIKeyFBMKSEJPMDADPQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.44
Rot. Bonds6

About 2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone

2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone (PubChem CID 60858856) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
PubChem CID60858856
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
SMILESCCC(C)NCC(=O)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-3-14(2)18-13-17(20)19-11-9-16(10-12-19)21-15-7-5-4-6-8-15/h4-8,14,16,18H,3,9-13H2,1-2H3
InChIKeyFBMKSEJPMDADPQ-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-(tert-butylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
CID 78986936
2-ethoxy-1-(4-phenoxypiperidin-1-yl)ethanone
CID 61381248
2-(cyclopropylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
CID 60858362
1-(4-phenoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 79287472
2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 61216682
1-(4-phenoxypiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119725118
(2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
CID 79013212
1-(4-benzylpiperazin-1-yl)-2-(butan-2-ylamino)ethanone
CID 60684325
3-amino-2-methoxy-1-(4-phenoxypiperidin-1-yl)propan-1-one
CID 106111809
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920
5-bromo-1-(4-phenoxypiperidin-1-yl)pentan-1-one
CID 107909079
N-butan-2-yl-3-[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]propanamide;hydroiodide
CID 109426535

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone (CID 60858856) is 2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone is CCC(C)NCC(=O)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of 2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone?
The InChIKey is FBMKSEJPMDADPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-14(2)18-13-17(20)19-11-9-16(10-12-19)21-15-7-5-4-6-8-15/h4-8,14,16,18H,3,9-13H2,1-2H3.
What are the key properties of 2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone?
2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 60858856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).