(2,3-dimethyl-4-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate

C21H27N3O3S — CID 137385725

IUPAC(2,3-dimethyl-4-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate
SMILESCc1ccc(C(=O)N[C@H](C)C2CCN(C(=O)Oc3ccnc(C)c3C)CC2)s1
InChIInChI=1S/C21H27N3O3S/c1-13-5-6-19(28-13)20(25)23-16(4)17-8-11-24(12-9-17)21(26)27-18-7-10-22-15(3)14(18)2/h5-7,10,16-17H,8-9,11-12H2,1-4H3,(H,23,25)/t16-/m1/s1
InChIKeyUKRVBMXSPGVRGI-MRXNPFEDSA-N
MW401.53 g/mol
LogP4.10
Rot. Bonds4

About (2,3-dimethyl-4-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate

(2,3-dimethyl-4-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate (PubChem CID 137385725) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is (2,3-dimethyl-4-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(2,3-dimethyl-4-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate
PubChem CID137385725
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name(2,3-dimethyl-4-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate
SMILESCc1ccc(C(=O)N[C@H](C)C2CCN(C(=O)Oc3ccnc(C)c3C)CC2)s1
InChIInChI=1S/C21H27N3O3S/c1-13-5-6-19(28-13)20(25)23-16(4)17-8-11-24(12-9-17)21(26)27-18-7-10-22-15(3)14(18)2/h5-7,10,16-17H,8-9,11-12H2,1-4H3,(H,23,25)/t16-/m1/s1
InChIKeyUKRVBMXSPGVRGI-MRXNPFEDSA-N
XLogP4.10
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

(2-methyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate
CID 142509340
(2,4-dimethyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;molecular hydrogen
CID 142509334
(2,3-dimethyl-4-pyridinyl) 4-[(R)-cyclopropyl-[formyl-(5-methylthiophen-2-yl)amino]methyl]piperidine-1-carboxylate
CID 137372874
(3-fluoro-2-methylphenyl) 4-[(1R)-1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate
CID 137372818
(2-methyl-3-pyridinyl) 4-[[(5-methylthiophene-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 137385281
phenyl 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate
CID 137372890
4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid
CID 137372825
(2,3-dimethyl-4-pyridinyl) 4-[1-(4-chloro-N-formylanilino)-3-methylbutyl]piperidine-1-carboxylate
CID 137372972
4-[2-cyclopropyl-2-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid
CID 137373078
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[(5-methylthiophene-2-carbonyl)amino]propanoic acid
CID 142509398
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-methylpyridine-4-carboxamide
CID 146193124
(2-fluoro-3-methyl-4-pyridinyl) 4-[4-[(4-fluorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
CID 137372835

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-4-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate?
The IUPAC name of (2,3-dimethyl-4-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate (CID 137385725) is (2,3-dimethyl-4-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for (2,3-dimethyl-4-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for (2,3-dimethyl-4-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate is Cc1ccc(C(=O)N[C@H](C)C2CCN(C(=O)Oc3ccnc(C)c3C)CC2)s1.
What is the InChIKey of (2,3-dimethyl-4-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate?
The InChIKey is UKRVBMXSPGVRGI-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-13-5-6-19(28-13)20(25)23-16(4)17-8-11-24(12-9-17)21(26)27-18-7-10-22-15(3)14(18)2/h5-7,10,16-17H,8-9,11-12H2,1-4H3,(H,23,25)/t16-/m1/s1.
What are the key properties of (2,3-dimethyl-4-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate?
(2,3-dimethyl-4-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate has a molecular weight of 401.53 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-4-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 137385725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).