1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methoxy-2-phenylethanone

C17H26N2O2 — CID 114506492

IUPAC1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methoxy-2-phenylethanone
SMILESCCC1CN(C(=O)C(OC)c2ccccc2)CCC1NC
InChIInChI=1S/C17H26N2O2/c1-4-13-12-19(11-10-15(13)18-2)17(20)16(21-3)14-8-6-5-7-9-14/h5-9,13,15-16,18H,4,10-12H2,1-3H3
InChIKeyBKRNSUHKFUTMMT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.22
Rot. Bonds5

About 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methoxy-2-phenylethanone

1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methoxy-2-phenylethanone (PubChem CID 114506492) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methoxy-2-phenylethanone.

Molecular Properties

Compound Name1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methoxy-2-phenylethanone
PubChem CID114506492
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methoxy-2-phenylethanone
SMILESCCC1CN(C(=O)C(OC)c2ccccc2)CCC1NC
InChIInChI=1S/C17H26N2O2/c1-4-13-12-19(11-10-15(13)18-2)17(20)16(21-3)14-8-6-5-7-9-14/h5-9,13,15-16,18H,4,10-12H2,1-3H3
InChIKeyBKRNSUHKFUTMMT-UHFFFAOYSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methoxy-2-phenylethanone with MolForge

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Related Compounds

methyl 1-(2-methoxy-2-phenylacetyl)pyrrolidine-3-carboxylate
CID 112733867
1-(3-hydroxypyrrolidin-1-yl)-2-methoxy-2-phenylethanone
CID 62918304
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 66291678
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 79030711
(2S)-1-[(3S,4S)-4-tert-butyl-3-hydroxypiperidin-1-yl]-2-methoxy-2-phenylethanone
CID 98856814
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride
CID 119413072
1-(4-amino-3-methylpiperidin-1-yl)-2-methoxy-2-phenylethanone;hydrochloride
CID 119592553
1-[(3S)-3-(3,4-dichlorophenyl)-4-ethylpiperidin-1-yl]-2-methoxy-2-phenylethanone
CID 143806526
(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 120684525
N-benzyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide
CID 107652895
1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methylbutan-1-one
CID 114506515
1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-2-methoxy-2-phenylethanone
CID 114509216

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methoxy-2-phenylethanone?
The IUPAC name of 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methoxy-2-phenylethanone (CID 114506492) is 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methoxy-2-phenylethanone.
What is the SMILES notation for 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methoxy-2-phenylethanone?
The canonical SMILES for 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methoxy-2-phenylethanone is CCC1CN(C(=O)C(OC)c2ccccc2)CCC1NC.
What is the InChIKey of 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methoxy-2-phenylethanone?
The InChIKey is BKRNSUHKFUTMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-13-12-19(11-10-15(13)18-2)17(20)16(21-3)14-8-6-5-7-9-14/h5-9,13,15-16,18H,4,10-12H2,1-3H3.
What are the key properties of 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methoxy-2-phenylethanone?
1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methoxy-2-phenylethanone has a molecular weight of 290.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methoxy-2-phenylethanone is sourced from PubChem (CID 114506492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).