2-(cyclopropylamino)-1-(4-phenoxypiperidin-1-yl)ethanone

C16H22N2O2 — CID 60858362

IUPAC2-(cyclopropylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
SMILESO=C(CNC1CC1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c19-16(12-17-13-6-7-13)18-10-8-15(9-11-18)20-14-4-2-1-3-5-14/h1-5,13,15,17H,6-12H2
InChIKeyGDWWQGNODGXDNT-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.81
Rot. Bonds5

About 2-(cyclopropylamino)-1-(4-phenoxypiperidin-1-yl)ethanone

2-(cyclopropylamino)-1-(4-phenoxypiperidin-1-yl)ethanone (PubChem CID 60858362) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(4-phenoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
PubChem CID60858362
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(cyclopropylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
SMILESO=C(CNC1CC1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c19-16(12-17-13-6-7-13)18-10-8-15(9-11-18)20-14-4-2-1-3-5-14/h1-5,13,15,17H,6-12H2
InChIKeyGDWWQGNODGXDNT-UHFFFAOYSA-N
XLogP1.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.81
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-(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
2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone
CID 157016143
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
methyl N-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70757574
2-(2,3-dihydro-1,3-benzoxazol-6-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
CID 141064604
(1-aminocyclopropyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725071
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
CID 110396939
1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone
CID 108993605

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(4-phenoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(cyclopropylamino)-1-(4-phenoxypiperidin-1-yl)ethanone (CID 60858362) is 2-(cyclopropylamino)-1-(4-phenoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(cyclopropylamino)-1-(4-phenoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(cyclopropylamino)-1-(4-phenoxypiperidin-1-yl)ethanone is O=C(CNC1CC1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of 2-(cyclopropylamino)-1-(4-phenoxypiperidin-1-yl)ethanone?
The InChIKey is GDWWQGNODGXDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(12-17-13-6-7-13)18-10-8-15(9-11-18)20-14-4-2-1-3-5-14/h1-5,13,15,17H,6-12H2.
What are the key properties of 2-(cyclopropylamino)-1-(4-phenoxypiperidin-1-yl)ethanone?
2-(cyclopropylamino)-1-(4-phenoxypiperidin-1-yl)ethanone has a molecular weight of 274.36 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(4-phenoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 60858362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).