methyl N-[1-ethyl-5-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate

C14H22N2O2S — CID 112543025

IUPACmethyl N-[1-ethyl-5-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate
SMILESCCN1CC(Cc2cccs2)CC(NC(=O)OC)C1
InChIInChI=1S/C14H22N2O2S/c1-3-16-9-11(8-13-5-4-6-19-13)7-12(10-16)15-14(17)18-2/h4-6,11-12H,3,7-10H2,1-2H3,(H,15,17)
InChIKeyPKOBCMMWYNVCCT-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.36
Rot. Bonds4

About methyl N-[1-ethyl-5-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate

methyl N-[1-ethyl-5-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate (PubChem CID 112543025) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is methyl N-[1-ethyl-5-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-ethyl-5-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate
PubChem CID112543025
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Namemethyl N-[1-ethyl-5-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate
SMILESCCN1CC(Cc2cccs2)CC(NC(=O)OC)C1
InChIInChI=1S/C14H22N2O2S/c1-3-16-9-11(8-13-5-4-6-19-13)7-12(10-16)15-14(17)18-2/h4-6,11-12H,3,7-10H2,1-2H3,(H,15,17)
InChIKeyPKOBCMMWYNVCCT-UHFFFAOYSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-methyl-5-(thiophen-2-ylmethyl)piperidin-3-amine
CID 83996218
N-(5-benzyl-1-ethylpiperidin-3-yl)-2,2-dimethylpropanamide
CID 112542121
methyl N-(1-cyclopropyl-5-thiophen-2-ylpiperidin-3-yl)carbamate
CID 112543340
N-(cyclohexylmethyl)-1-methyl-5-(thiophen-2-ylmethyl)piperidin-3-amine
CID 83998292
methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543097
N-methyl-3-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 64505657
methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate
CID 112543409
methyl N-(1-ethylpyrrolidin-3-yl)carbamate
CID 67579436
methyl N-[1,5-bis(cyclopropylmethyl)piperidin-3-yl]carbamate
CID 112543412
N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
CID 118877843
5-benzyl-1-ethyl-N-methylpiperidin-3-amine
CID 83989565
1-methyl-5-(thiophen-2-ylmethyl)piperidin-3-amine
CID 83988958

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-ethyl-5-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-ethyl-5-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate (CID 112543025) is methyl N-[1-ethyl-5-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-ethyl-5-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-ethyl-5-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate is CCN1CC(Cc2cccs2)CC(NC(=O)OC)C1.
What is the InChIKey of methyl N-[1-ethyl-5-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate?
The InChIKey is PKOBCMMWYNVCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-16-9-11(8-13-5-4-6-19-13)7-12(10-16)15-14(17)18-2/h4-6,11-12H,3,7-10H2,1-2H3,(H,15,17).
What are the key properties of methyl N-[1-ethyl-5-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate?
methyl N-[1-ethyl-5-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate has a molecular weight of 282.41 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-ethyl-5-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 112543025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).