(2-methyl-3-pyridinyl) 4-[[(5-methylthiophene-2-carbonyl)amino]methyl]piperidine-1-carboxylate

C19H23N3O3S — CID 137385281

IUPAC(2-methyl-3-pyridinyl) 4-[[(5-methylthiophene-2-carbonyl)amino]methyl]piperidine-1-carboxylate
SMILESCc1ccc(C(=O)NCC2CCN(C(=O)Oc3cccnc3C)CC2)s1
InChIInChI=1S/C19H23N3O3S/c1-13-5-6-17(26-13)18(23)21-12-15-7-10-22(11-8-15)19(24)25-16-4-3-9-20-14(16)2/h3-6,9,15H,7-8,10-12H2,1-2H3,(H,21,23)
InChIKeyIAXCWEZRSHPSGJ-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.40
Rot. Bonds4

About (2-methyl-3-pyridinyl) 4-[[(5-methylthiophene-2-carbonyl)amino]methyl]piperidine-1-carboxylate

(2-methyl-3-pyridinyl) 4-[[(5-methylthiophene-2-carbonyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 137385281) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (2-methyl-3-pyridinyl) 4-[[(5-methylthiophene-2-carbonyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(2-methyl-3-pyridinyl) 4-[[(5-methylthiophene-2-carbonyl)amino]methyl]piperidine-1-carboxylate
PubChem CID137385281
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(2-methyl-3-pyridinyl) 4-[[(5-methylthiophene-2-carbonyl)amino]methyl]piperidine-1-carboxylate
SMILESCc1ccc(C(=O)NCC2CCN(C(=O)Oc3cccnc3C)CC2)s1
InChIInChI=1S/C19H23N3O3S/c1-13-5-6-17(26-13)18(23)21-12-15-7-10-22(11-8-15)19(24)25-16-4-3-9-20-14(16)2/h3-6,9,15H,7-8,10-12H2,1-2H3,(H,21,23)
InChIKeyIAXCWEZRSHPSGJ-UHFFFAOYSA-N
XLogP3.40
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-methyl-3-pyridinyl) 4-[[(5-methylthiophene-2-carbonyl)amino]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

(2-methyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate
CID 142509340
(2,3-dimethyl-4-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate
CID 137385725
(2,4-dimethyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;molecular hydrogen
CID 142509334
[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 50846846
N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18109519
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylthiophene-2-carboxamide
CID 25453222
(5-methylthiophen-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129473831
(2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 58270829
(2-methyl-3-pyridinyl) 4-(2-phenyl-4H-imidazol-5-yl)piperidine-1-carboxylate
CID 58270760
tert-butyl 4-[[(2-chloropyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 66569724
4-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90895817
2-bromo-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 113255665

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-pyridinyl) 4-[[(5-methylthiophene-2-carbonyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of (2-methyl-3-pyridinyl) 4-[[(5-methylthiophene-2-carbonyl)amino]methyl]piperidine-1-carboxylate (CID 137385281) is (2-methyl-3-pyridinyl) 4-[[(5-methylthiophene-2-carbonyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for (2-methyl-3-pyridinyl) 4-[[(5-methylthiophene-2-carbonyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for (2-methyl-3-pyridinyl) 4-[[(5-methylthiophene-2-carbonyl)amino]methyl]piperidine-1-carboxylate is Cc1ccc(C(=O)NCC2CCN(C(=O)Oc3cccnc3C)CC2)s1.
What is the InChIKey of (2-methyl-3-pyridinyl) 4-[[(5-methylthiophene-2-carbonyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is IAXCWEZRSHPSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13-5-6-17(26-13)18(23)21-12-15-7-10-22(11-8-15)19(24)25-16-4-3-9-20-14(16)2/h3-6,9,15H,7-8,10-12H2,1-2H3,(H,21,23).
What are the key properties of (2-methyl-3-pyridinyl) 4-[[(5-methylthiophene-2-carbonyl)amino]methyl]piperidine-1-carboxylate?
(2-methyl-3-pyridinyl) 4-[[(5-methylthiophene-2-carbonyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 373.48 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-pyridinyl) 4-[[(5-methylthiophene-2-carbonyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 137385281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).