methyl N-(1-cyclopropyl-5-thiophen-2-ylpiperidin-3-yl)carbamate

C14H20N2O2S — CID 112543340

IUPACmethyl N-(1-cyclopropyl-5-thiophen-2-ylpiperidin-3-yl)carbamate
SMILESCOC(=O)NC1CC(c2cccs2)CN(C2CC2)C1
InChIInChI=1S/C14H20N2O2S/c1-18-14(17)15-11-7-10(13-3-2-6-19-13)8-16(9-11)12-4-5-12/h2-3,6,10-12H,4-5,7-9H2,1H3,(H,15,17)
InChIKeyRIRMUQNWKYJCNJ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.42
Rot. Bonds3

About methyl N-(1-cyclopropyl-5-thiophen-2-ylpiperidin-3-yl)carbamate

methyl N-(1-cyclopropyl-5-thiophen-2-ylpiperidin-3-yl)carbamate (PubChem CID 112543340) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is methyl N-(1-cyclopropyl-5-thiophen-2-ylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-cyclopropyl-5-thiophen-2-ylpiperidin-3-yl)carbamate
PubChem CID112543340
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Namemethyl N-(1-cyclopropyl-5-thiophen-2-ylpiperidin-3-yl)carbamate
SMILESCOC(=O)NC1CC(c2cccs2)CN(C2CC2)C1
InChIInChI=1S/C14H20N2O2S/c1-18-14(17)15-11-7-10(13-3-2-6-19-13)8-16(9-11)12-4-5-12/h2-3,6,10-12H,4-5,7-9H2,1H3,(H,15,17)
InChIKeyRIRMUQNWKYJCNJ-UHFFFAOYSA-N
XLogP2.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate
CID 112544264
N-(cyclohexylmethyl)-1-cyclopropyl-5-thiophen-2-ylpiperidin-3-amine
CID 83998686
1-cyclopropyl-N-(2,2-difluoroethyl)-5-thiophen-2-ylpiperidin-3-amine
CID 83993153
ethyl N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)carbamate
CID 112543760
N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)acetamide
CID 112541749
methyl N-(5-butyl-1-cyclopropylpiperidin-3-yl)carbamate
CID 112543336
methyl N-[1-ethyl-5-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate
CID 112543025
1-ethyl-N-methyl-5-thiophen-2-ylpiperidin-3-amine
CID 83989566
methyl N-[1-cyclobutyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543373
methyl N-[1-cyclopentyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543328
benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate
CID 112545058
N-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 71786930

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-cyclopropyl-5-thiophen-2-ylpiperidin-3-yl)carbamate?
The IUPAC name of methyl N-(1-cyclopropyl-5-thiophen-2-ylpiperidin-3-yl)carbamate (CID 112543340) is methyl N-(1-cyclopropyl-5-thiophen-2-ylpiperidin-3-yl)carbamate.
What is the SMILES notation for methyl N-(1-cyclopropyl-5-thiophen-2-ylpiperidin-3-yl)carbamate?
The canonical SMILES for methyl N-(1-cyclopropyl-5-thiophen-2-ylpiperidin-3-yl)carbamate is COC(=O)NC1CC(c2cccs2)CN(C2CC2)C1.
What is the InChIKey of methyl N-(1-cyclopropyl-5-thiophen-2-ylpiperidin-3-yl)carbamate?
The InChIKey is RIRMUQNWKYJCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-18-14(17)15-11-7-10(13-3-2-6-19-13)8-16(9-11)12-4-5-12/h2-3,6,10-12H,4-5,7-9H2,1H3,(H,15,17).
What are the key properties of methyl N-(1-cyclopropyl-5-thiophen-2-ylpiperidin-3-yl)carbamate?
methyl N-(1-cyclopropyl-5-thiophen-2-ylpiperidin-3-yl)carbamate has a molecular weight of 280.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-cyclopropyl-5-thiophen-2-ylpiperidin-3-yl)carbamate is sourced from PubChem (CID 112543340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).