[3-[benzyl(methyl)amino]piperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone

C20H26N2O2S — CID 24793283

IUPAC[3-[benzyl(methyl)amino]piperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCCC(N(C)Cc3ccccc3)C2)s1
InChIInChI=1S/C20H26N2O2S/c1-21(13-16-7-4-3-5-8-16)17-9-6-12-22(14-17)20(23)19-11-10-18(25-19)15-24-2/h3-5,7-8,10-11,17H,6,9,12-15H2,1-2H3
InChIKeyDMNRBYJGHBMMFI-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.63
Rot. Bonds6

About [3-[benzyl(methyl)amino]piperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone

[3-[benzyl(methyl)amino]piperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone (PubChem CID 24793283) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is [3-[benzyl(methyl)amino]piperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name[3-[benzyl(methyl)amino]piperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
PubChem CID24793283
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name[3-[benzyl(methyl)amino]piperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCCC(N(C)Cc3ccccc3)C2)s1
InChIInChI=1S/C20H26N2O2S/c1-21(13-16-7-4-3-5-8-16)17-9-6-12-22(14-17)20(23)19-11-10-18(25-19)15-24-2/h3-5,7-8,10-11,17H,6,9,12-15H2,1-2H3
InChIKeyDMNRBYJGHBMMFI-UHFFFAOYSA-N
XLogP3.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[benzyl(methyl)amino]piperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone with MolForge

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Related Compounds

[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2413047
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
1-(1-{[5-(Methoxymethyl)-2-thienyl]carbonyl}-3-piperidinyl)-4-(2-methylphenyl)piperazine
CID 24790534
5-acetyl-N-[1-(2-fluorobenzyl)-3-piperidinyl]-N-methyl-2-thiophenecarboxamide
CID 24791102
N-benzyl-N-methyl-1-[(5-methyl-2-thienyl)carbonyl]-3-piperidinamine
CID 24819399
[4-(4-Ethyl-5-methyl-thiophene-2-carbonyl)piperazin-1-yl]-phenyl-methanone
CID 7809250
[1-{[5-(Methoxymethyl)-2-thienyl]carbonyl}-3-(2-phenylethyl)-3-piperidinyl]methanol
CID 24819300
(2,5-Difluorophenyl)(1-{[5-(methoxymethyl)-2-thienyl]carbonyl}piperidin-3-yl)methanone
CID 16187841
N-(4-isopropylphenyl)-1-{[5-(methoxymethyl)-2-thienyl]carbonyl}-3-piperidinamine
CID 24791953
(1-{[5-(Methoxymethyl)-2-thienyl]carbonyl}-3-piperidinyl)[4-(methylthio)phenyl]methanone
CID 24793287
3-[1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
CID 24793306
N-benzyl-N-methyl-1-[(3-methyl-2-thienyl)carbonyl]-3-piperidinamine
CID 24793203

Frequently Asked Questions

What is the IUPAC name of [3-[benzyl(methyl)amino]piperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone?
The IUPAC name of [3-[benzyl(methyl)amino]piperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone (CID 24793283) is [3-[benzyl(methyl)amino]piperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone.
What is the SMILES notation for [3-[benzyl(methyl)amino]piperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone?
The canonical SMILES for [3-[benzyl(methyl)amino]piperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone is COCc1ccc(C(=O)N2CCCC(N(C)Cc3ccccc3)C2)s1.
What is the InChIKey of [3-[benzyl(methyl)amino]piperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone?
The InChIKey is DMNRBYJGHBMMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-21(13-16-7-4-3-5-8-16)17-9-6-12-22(14-17)20(23)19-11-10-18(25-19)15-24-2/h3-5,7-8,10-11,17H,6,9,12-15H2,1-2H3.
What are the key properties of [3-[benzyl(methyl)amino]piperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone?
[3-[benzyl(methyl)amino]piperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone has a molecular weight of 358.51 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[benzyl(methyl)amino]piperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone is sourced from PubChem (CID 24793283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).