tert-butyl N-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]carbamate

C17H26N2O3S — CID 71647148

IUPACtert-butyl N-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-17(2,3)22-16(21)18(4)14-5-8-19(9-6-14)15(20)11-13-7-10-23-12-13/h7,10,12,14H,5-6,8-9,11H2,1-4H3
InChIKeyMRFYRIZRWWWYIF-UHFFFAOYSA-N
MW338.47 g/mol
LogP3.15
Rot. Bonds3

About tert-butyl N-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]carbamate

tert-butyl N-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]carbamate (PubChem CID 71647148) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]carbamate
PubChem CID71647148
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Nametert-butyl N-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-17(2,3)22-16(21)18(4)14-5-8-19(9-6-14)15(20)11-13-7-10-23-12-13/h7,10,12,14H,5-6,8-9,11H2,1-4H3
InChIKeyMRFYRIZRWWWYIF-UHFFFAOYSA-N
XLogP3.15
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate
CID 71629850
1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 121200714
tert-butyl (2S)-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxylate
CID 81003519
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
tert-butyl (3S)-3-methyl-4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate
CID 97176946
ethyl N-methyl-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]carbamate
CID 75439221
benzyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 46835598
benzyl (3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 58940619
1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 94407469
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 62349580
tert-butyl (3R)-3-[[methyl-(2-thiophen-3-ylacetyl)amino]methyl]piperidine-1-carboxylate
CID 97167266
methyl 6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate
CID 121021108

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]carbamate (CID 71647148) is tert-butyl N-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]carbamate is CN(C(=O)OC(C)(C)C)C1CCN(C(=O)Cc2ccsc2)CC1.
What is the InChIKey of tert-butyl N-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]carbamate?
The InChIKey is MRFYRIZRWWWYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-17(2,3)22-16(21)18(4)14-5-8-19(9-6-14)15(20)11-13-7-10-23-12-13/h7,10,12,14H,5-6,8-9,11H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]carbamate?
tert-butyl N-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]carbamate has a molecular weight of 338.47 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 71647148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).