methyl 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylate

C13H17NO3S — CID 134057736

IUPACmethyl 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCC(C)CC2)s1
InChIInChI=1S/C13H17NO3S/c1-9-5-7-14(8-6-9)12(15)10-3-4-11(18-10)13(16)17-2/h3-4,9H,5-8H2,1-2H3
InChIKeyXYUHSORXEQNVKZ-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.41
Rot. Bonds2

About methyl 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylate

methyl 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylate (PubChem CID 134057736) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is methyl 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylate
PubChem CID134057736
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Namemethyl 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCC(C)CC2)s1
InChIInChI=1S/C13H17NO3S/c1-9-5-7-14(8-6-9)12(15)10-3-4-11(18-10)13(16)17-2/h3-4,9H,5-8H2,1-2H3
InChIKeyXYUHSORXEQNVKZ-UHFFFAOYSA-N
XLogP2.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
CID 43414439
methyl 5-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylate
CID 35186967
methyl 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)thiophene-2-carboxylate
CID 35184726
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
methyl 5-[4-(2-fluorobenzoyl)-1,4-diazepane-1-carbonyl]thiophene-2-carboxylate
CID 78850342
methyl 5-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]thiophene-2-carboxylate
CID 38770782
methyl 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)thiophene-2-carboxylate
CID 38298822
hydrazine;5-methoxycarbonylthiophene-2-carboxylic acid
CID 159424463
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
methyl 5-[cyclopropyl(methyl)carbamoyl]thiophene-2-carboxylate
CID 75417382
[5-(4-fluorophenyl)thiophen-2-yl]-[(4S)-4-methylazepan-1-yl]methanone
CID 97023625
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylate?
The IUPAC name of methyl 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylate (CID 134057736) is methyl 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylate is COC(=O)c1ccc(C(=O)N2CCC(C)CC2)s1.
What is the InChIKey of methyl 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylate?
The InChIKey is XYUHSORXEQNVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-9-5-7-14(8-6-9)12(15)10-3-4-11(18-10)13(16)17-2/h3-4,9H,5-8H2,1-2H3.
What are the key properties of methyl 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylate?
methyl 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylate has a molecular weight of 267.35 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylate is sourced from PubChem (CID 134057736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).