1-[2-(2-methoxyethyl)phenyl]-3-(propan-2-ylamino)piperidin-2-one

C17H26N2O2 — CID 102908344

IUPAC1-[2-(2-methoxyethyl)phenyl]-3-(propan-2-ylamino)piperidin-2-one
SMILESCOCCc1ccccc1N1CCCC(NC(C)C)C1=O
InChIInChI=1S/C17H26N2O2/c1-13(2)18-15-8-6-11-19(17(15)20)16-9-5-4-7-14(16)10-12-21-3/h4-5,7,9,13,15,18H,6,8,10-12H2,1-3H3
InChIKeyNEOGYJSTMBDHQJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.37
Rot. Bonds6

About 1-[2-(2-methoxyethyl)phenyl]-3-(propan-2-ylamino)piperidin-2-one

1-[2-(2-methoxyethyl)phenyl]-3-(propan-2-ylamino)piperidin-2-one (PubChem CID 102908344) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-(2-methoxyethyl)phenyl]-3-(propan-2-ylamino)piperidin-2-one.

Molecular Properties

Compound Name1-[2-(2-methoxyethyl)phenyl]-3-(propan-2-ylamino)piperidin-2-one
PubChem CID102908344
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[2-(2-methoxyethyl)phenyl]-3-(propan-2-ylamino)piperidin-2-one
SMILESCOCCc1ccccc1N1CCCC(NC(C)C)C1=O
InChIInChI=1S/C17H26N2O2/c1-13(2)18-15-8-6-11-19(17(15)20)16-9-5-4-7-14(16)10-12-21-3/h4-5,7,9,13,15,18H,6,8,10-12H2,1-3H3
InChIKeyNEOGYJSTMBDHQJ-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-1-[2-(2-methoxyethyl)phenyl]pyrrolidin-2-one
CID 102906315
(3S)-1-(2-chlorophenyl)-3-[[(2R)-1-cyclopropylpropan-2-yl]amino]piperidin-2-one
CID 97318754
1-[2-(2-methylphenyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one
CID 79754766
1-(2-methyl-3-pyridinyl)-3-(propan-2-ylamino)pyrrolidin-2-one
CID 79043170
1-[2-(2-methoxyethyl)phenyl]imidazolidine-2,4-dione
CID 102908683
9-[2-(2-methoxyethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 102908215
1-(3-bromo-5-methoxyphenyl)-3-(propan-2-ylamino)piperidin-2-one
CID 82860337
1-(4-chloro-2-iodophenyl)-3-(propan-2-ylamino)piperidin-2-one
CID 107639769
1-(1-methoxy-3-methylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one
CID 65053200
3-(propan-2-ylamino)-1-thiophen-3-ylpiperidin-2-one
CID 66356050
(3S)-1-(2-ethylphenyl)-3-propanoylpiperidin-2-one
CID 125450755
methyl 4-[[(3R)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-4-oxobutanoate
CID 124589266

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethyl)phenyl]-3-(propan-2-ylamino)piperidin-2-one?
The IUPAC name of 1-[2-(2-methoxyethyl)phenyl]-3-(propan-2-ylamino)piperidin-2-one (CID 102908344) is 1-[2-(2-methoxyethyl)phenyl]-3-(propan-2-ylamino)piperidin-2-one.
What is the SMILES notation for 1-[2-(2-methoxyethyl)phenyl]-3-(propan-2-ylamino)piperidin-2-one?
The canonical SMILES for 1-[2-(2-methoxyethyl)phenyl]-3-(propan-2-ylamino)piperidin-2-one is COCCc1ccccc1N1CCCC(NC(C)C)C1=O.
What is the InChIKey of 1-[2-(2-methoxyethyl)phenyl]-3-(propan-2-ylamino)piperidin-2-one?
The InChIKey is NEOGYJSTMBDHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)18-15-8-6-11-19(17(15)20)16-9-5-4-7-14(16)10-12-21-3/h4-5,7,9,13,15,18H,6,8,10-12H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethyl)phenyl]-3-(propan-2-ylamino)piperidin-2-one?
1-[2-(2-methoxyethyl)phenyl]-3-(propan-2-ylamino)piperidin-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethyl)phenyl]-3-(propan-2-ylamino)piperidin-2-one is sourced from PubChem (CID 102908344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).