methyl N-[4-ethyl-5-methyl-3-(piperidine-1-carbonyl)thiophen-2-yl]carbamate

C15H22N2O3S — CID 1245049

IUPACmethyl N-[4-ethyl-5-methyl-3-(piperidine-1-carbonyl)thiophen-2-yl]carbamate
SMILESCCc1c(C)sc(NC(=O)OC)c1C(=O)N1CCCCC1
InChIInChI=1S/C15H22N2O3S/c1-4-11-10(2)21-13(16-15(19)20-3)12(11)14(18)17-8-6-5-7-9-17/h4-9H2,1-3H3,(H,16,19)
InChIKeyDTQAWNDSGCAZEY-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.42
Rot. Bonds3

About methyl N-[4-ethyl-5-methyl-3-(piperidine-1-carbonyl)thiophen-2-yl]carbamate

methyl N-[4-ethyl-5-methyl-3-(piperidine-1-carbonyl)thiophen-2-yl]carbamate (PubChem CID 1245049) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is methyl N-[4-ethyl-5-methyl-3-(piperidine-1-carbonyl)thiophen-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-ethyl-5-methyl-3-(piperidine-1-carbonyl)thiophen-2-yl]carbamate
PubChem CID1245049
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Namemethyl N-[4-ethyl-5-methyl-3-(piperidine-1-carbonyl)thiophen-2-yl]carbamate
SMILESCCc1c(C)sc(NC(=O)OC)c1C(=O)N1CCCCC1
InChIInChI=1S/C15H22N2O3S/c1-4-11-10(2)21-13(16-15(19)20-3)12(11)14(18)17-8-6-5-7-9-17/h4-9H2,1-3H3,(H,16,19)
InChIKeyDTQAWNDSGCAZEY-UHFFFAOYSA-N
XLogP3.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 611038
2-Amino-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 614439
2-amino-6-(propan-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxamide
CID 757553
N-[3-Cyano-4-methyl-5-(morpholine-4-carbonyl)-thiophen-2-yl]-isobutyramide
CID 828996
methyl N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamate
CID 2162673
2-(Propoxycarbonylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 1586072
6-Acetyl-2-amino-4,5,6,7-tetrahydrothieno(2,3-c)pyridine-3-carboxamide
CID 25219685
Methyl 4-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-4-oxobutanoate
CID 649731
N-[3-Cyano-4-methyl-5-(piperidine-1-carbonyl)-thiophen-2-yl]-isobutyramide
CID 654813
Methyl [3-(cyclopropylcarbamoyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamate
CID 1247559
Methyl [6-methyl-3-(4-morpholinylcarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]carbamate
CID 2970970
6-acetyl-2-(cyclohexanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4462502

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-ethyl-5-methyl-3-(piperidine-1-carbonyl)thiophen-2-yl]carbamate?
The IUPAC name of methyl N-[4-ethyl-5-methyl-3-(piperidine-1-carbonyl)thiophen-2-yl]carbamate (CID 1245049) is methyl N-[4-ethyl-5-methyl-3-(piperidine-1-carbonyl)thiophen-2-yl]carbamate.
What is the SMILES notation for methyl N-[4-ethyl-5-methyl-3-(piperidine-1-carbonyl)thiophen-2-yl]carbamate?
The canonical SMILES for methyl N-[4-ethyl-5-methyl-3-(piperidine-1-carbonyl)thiophen-2-yl]carbamate is CCc1c(C)sc(NC(=O)OC)c1C(=O)N1CCCCC1.
What is the InChIKey of methyl N-[4-ethyl-5-methyl-3-(piperidine-1-carbonyl)thiophen-2-yl]carbamate?
The InChIKey is DTQAWNDSGCAZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-11-10(2)21-13(16-15(19)20-3)12(11)14(18)17-8-6-5-7-9-17/h4-9H2,1-3H3,(H,16,19).
What are the key properties of methyl N-[4-ethyl-5-methyl-3-(piperidine-1-carbonyl)thiophen-2-yl]carbamate?
methyl N-[4-ethyl-5-methyl-3-(piperidine-1-carbonyl)thiophen-2-yl]carbamate has a molecular weight of 310.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-ethyl-5-methyl-3-(piperidine-1-carbonyl)thiophen-2-yl]carbamate is sourced from PubChem (CID 1245049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).