[4-[(2-methoxy-2-thiophen-2-ylethyl)amino]piperidin-1-yl]-phenylmethanone

C19H24N2O2S — CID 50951057

IUPAC[4-[(2-methoxy-2-thiophen-2-ylethyl)amino]piperidin-1-yl]-phenylmethanone
SMILESCOC(CNC1CCN(C(=O)c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C19H24N2O2S/c1-23-17(18-8-5-13-24-18)14-20-16-9-11-21(12-10-16)19(22)15-6-3-2-4-7-15/h2-8,13,16-17,20H,9-12,14H2,1H3
InChIKeyADRBOGGTLBPPAA-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.33
Rot. Bonds6

About [4-[(2-methoxy-2-thiophen-2-ylethyl)amino]piperidin-1-yl]-phenylmethanone

[4-[(2-methoxy-2-thiophen-2-ylethyl)amino]piperidin-1-yl]-phenylmethanone (PubChem CID 50951057) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is [4-[(2-methoxy-2-thiophen-2-ylethyl)amino]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(2-methoxy-2-thiophen-2-ylethyl)amino]piperidin-1-yl]-phenylmethanone
PubChem CID50951057
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name[4-[(2-methoxy-2-thiophen-2-ylethyl)amino]piperidin-1-yl]-phenylmethanone
SMILESCOC(CNC1CCN(C(=O)c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C19H24N2O2S/c1-23-17(18-8-5-13-24-18)14-20-16-9-11-21(12-10-16)19(22)15-6-3-2-4-7-15/h2-8,13,16-17,20H,9-12,14H2,1H3
InChIKeyADRBOGGTLBPPAA-UHFFFAOYSA-N
XLogP3.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(2-methoxy-2-thiophen-2-ylethyl)amino]piperidin-1-yl]-phenylmethanone with MolForge

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Related Compounds

1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone
CID 43223422
[4-[[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]amino]piperidin-1-yl]-phenylmethanone
CID 95126555
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
phenyl-[4-(2-phenylethylamino)piperidin-1-yl]methanone
CID 142654870
phenyl-[(3R)-3-[[[(1S)-1-thiophen-2-ylpropyl]amino]methyl]pyrrolidin-1-yl]methanone
CID 124738417
phenyl-[3-[(1-thiophen-2-ylpropylamino)methyl]pyrrolidin-1-yl]methanone
CID 119051883
tert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]pyrrolidine-1-carboxylate
CID 103801716
1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea
CID 92519828
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 9223416
(2R)-2-methoxy-2-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 52512778
N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-3-(1-methylpiperidin-4-yl)propanamide
CID 126436086

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methoxy-2-thiophen-2-ylethyl)amino]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[(2-methoxy-2-thiophen-2-ylethyl)amino]piperidin-1-yl]-phenylmethanone (CID 50951057) is [4-[(2-methoxy-2-thiophen-2-ylethyl)amino]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[(2-methoxy-2-thiophen-2-ylethyl)amino]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[(2-methoxy-2-thiophen-2-ylethyl)amino]piperidin-1-yl]-phenylmethanone is COC(CNC1CCN(C(=O)c2ccccc2)CC1)c1cccs1.
What is the InChIKey of [4-[(2-methoxy-2-thiophen-2-ylethyl)amino]piperidin-1-yl]-phenylmethanone?
The InChIKey is ADRBOGGTLBPPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-23-17(18-8-5-13-24-18)14-20-16-9-11-21(12-10-16)19(22)15-6-3-2-4-7-15/h2-8,13,16-17,20H,9-12,14H2,1H3.
What are the key properties of [4-[(2-methoxy-2-thiophen-2-ylethyl)amino]piperidin-1-yl]-phenylmethanone?
[4-[(2-methoxy-2-thiophen-2-ylethyl)amino]piperidin-1-yl]-phenylmethanone has a molecular weight of 344.48 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methoxy-2-thiophen-2-ylethyl)amino]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 50951057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).