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

C21H27N3O3S — CID 142509340

IUPAC(2-methyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate
SMILESCC[C@@H](NC(=O)c1ccc(C)s1)C1CCN(C(=O)Oc2cccnc2C)CC1
InChIInChI=1S/C21H27N3O3S/c1-4-17(23-20(25)19-8-7-14(2)28-19)16-9-12-24(13-10-16)21(26)27-18-6-5-11-22-15(18)3/h5-8,11,16-17H,4,9-10,12-13H2,1-3H3,(H,23,25)/t17-/m1/s1
InChIKeyZTOWNWBQUFAGSQ-QGZVFWFLSA-N
MW401.53 g/mol
LogP4.18
Rot. Bonds5

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

(2-methyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate (PubChem CID 142509340) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is (2-methyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(2-methyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate
PubChem CID142509340
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name(2-methyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate
SMILESCC[C@@H](NC(=O)c1ccc(C)s1)C1CCN(C(=O)Oc2cccnc2C)CC1
InChIInChI=1S/C21H27N3O3S/c1-4-17(23-20(25)19-8-7-14(2)28-19)16-9-12-24(13-10-16)21(26)27-18-6-5-11-22-15(18)3/h5-8,11,16-17H,4,9-10,12-13H2,1-3H3,(H,23,25)/t17-/m1/s1
InChIKeyZTOWNWBQUFAGSQ-QGZVFWFLSA-N
XLogP4.18
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2,4-dimethyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;molecular hydrogen
CID 142509334
(2-methyl-3-pyridinyl) 4-[[(5-methylthiophene-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 137385281
(2,3-dimethyl-4-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate
CID 137385725
4-[2-cyclopropyl-2-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid
CID 137373078
(2-methoxy-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
CID 137372714
(3-fluoro-2-methylphenyl) 4-[(1R)-1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate
CID 137372818
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[(5-methylthiophene-2-carbonyl)amino]propanoic acid
CID 142509398
(2,3-dimethyl-4-pyridinyl) 4-[(R)-cyclopropyl-[formyl-(5-methylthiophen-2-yl)amino]methyl]piperidine-1-carboxylate
CID 137372874
N-[2-[1-(2,2-difluoro-2-pyridin-2-ylacetyl)piperidin-4-yl]-1-phenylethyl]-5-methylthiophene-2-carboxamide
CID 137373168
(2,4-dimethyl-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
CID 137372752
(2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 58270829
(2,3-dimethylphenyl) 4-[1-[(4-fluorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
CID 137372923

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate?
The IUPAC name of (2-methyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate (CID 142509340) is (2-methyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate.
What is the SMILES notation for (2-methyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate?
The canonical SMILES for (2-methyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate is CC[C@@H](NC(=O)c1ccc(C)s1)C1CCN(C(=O)Oc2cccnc2C)CC1.
What is the InChIKey of (2-methyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate?
The InChIKey is ZTOWNWBQUFAGSQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-4-17(23-20(25)19-8-7-14(2)28-19)16-9-12-24(13-10-16)21(26)27-18-6-5-11-22-15(18)3/h5-8,11,16-17H,4,9-10,12-13H2,1-3H3,(H,23,25)/t17-/m1/s1.
What are the key properties of (2-methyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate?
(2-methyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate has a molecular weight of 401.53 g/mol, XLogP of 4.18, 5 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-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 142509340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).