ethyl N-methyl-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]carbamate

C14H22N2O2S — CID 75439221

IUPACethyl N-methyl-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]carbamate
SMILESCCOC(=O)N(C)C1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C14H22N2O2S/c1-3-18-14(17)15(2)13-4-7-16(8-5-13)10-12-6-9-19-11-12/h6,9,11,13H,3-5,7-8,10H2,1-2H3
InChIKeyOTTJZJAEGABDES-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.80
Rot. Bonds4

About ethyl N-methyl-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]carbamate

ethyl N-methyl-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]carbamate (PubChem CID 75439221) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is ethyl N-methyl-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]carbamate
PubChem CID75439221
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Nameethyl N-methyl-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]carbamate
SMILESCCOC(=O)N(C)C1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C14H22N2O2S/c1-3-18-14(17)15(2)13-4-7-16(8-5-13)10-12-6-9-19-11-12/h6,9,11,13H,3-5,7-8,10H2,1-2H3
InChIKeyOTTJZJAEGABDES-UHFFFAOYSA-N
XLogP2.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151
N-(4-ethylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide
CID 46054717
methyl 1-(thiophen-3-ylmethyl)piperidine-4-carboxylate
CID 62027274
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 121057584
tert-butyl N-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]carbamate
CID 71647148
N-(1-ethylpiperidin-4-yl)-N-methylthiophene-3-carboxamide
CID 60559786
(4-methylphenyl)methyl 3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxypropanoate
CID 154704719
ethyl N-(1-benzylpiperidin-4-yl)-N-propylcarbamate
CID 19913772
N-methyl-N-piperidin-4-yl-2-thiophen-3-ylacetamide;hydrochloride
CID 71641436
1-tert-butyl-3-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]urea
CID 121057602
2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]ethanol
CID 121200335
N-(pyrimidin-5-ylmethyl)-N-[(4S)-1-(thiophen-3-ylmethyl)azepan-4-yl]acetamide
CID 129336414

Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]carbamate?
The IUPAC name of ethyl N-methyl-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]carbamate (CID 75439221) is ethyl N-methyl-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-methyl-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]carbamate?
The canonical SMILES for ethyl N-methyl-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]carbamate is CCOC(=O)N(C)C1CCN(Cc2ccsc2)CC1.
What is the InChIKey of ethyl N-methyl-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]carbamate?
The InChIKey is OTTJZJAEGABDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-18-14(17)15(2)13-4-7-16(8-5-13)10-12-6-9-19-11-12/h6,9,11,13H,3-5,7-8,10H2,1-2H3.
What are the key properties of ethyl N-methyl-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]carbamate?
ethyl N-methyl-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]carbamate has a molecular weight of 282.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 75439221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).