(2,4-dimethyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;molecular hydrogen

C22H31N3O3S — CID 142509334

IUPAC(2,4-dimethyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;molecular hydrogen
SMILESCC[C@@H](NC(=O)c1ccc(C)s1)C1CCN(C(=O)Oc2c(C)ccnc2C)CC1.[H][H]
InChIInChI=1S/C22H29N3O3S.H2/c1-5-18(24-21(26)19-7-6-15(3)29-19)17-9-12-25(13-10-17)22(27)28-20-14(2)8-11-23-16(20)4;/h6-8,11,17-18H,5,9-10,12-13H2,1-4H3,(H,24,26);1H/t18-;/m1./s1
InChIKeyUAEQSBQMVTUAMJ-GMUIIQOCSA-N
MW417.58 g/mol
LogP4.73
Rot. Bonds5

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

(2,4-dimethyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;molecular hydrogen (PubChem CID 142509334) has the molecular formula C22H31N3O3S and a molecular weight of 417.58 g/mol. Its IUPAC name is (2,4-dimethyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;molecular hydrogen.

Molecular Properties

Compound Name(2,4-dimethyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;molecular hydrogen
PubChem CID142509334
Molecular FormulaC22H31N3O3S
Molecular Weight417.58 g/mol
Exact Mass417.21
IUPAC Name(2,4-dimethyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;molecular hydrogen
SMILESCC[C@@H](NC(=O)c1ccc(C)s1)C1CCN(C(=O)Oc2c(C)ccnc2C)CC1.[H][H]
InChIInChI=1S/C22H29N3O3S.H2/c1-5-18(24-21(26)19-7-6-15(3)29-19)17-9-12-25(13-10-17)22(27)28-20-14(2)8-11-23-16(20)4;/h6-8,11,17-18H,5,9-10,12-13H2,1-4H3,(H,24,26);1H/t18-;/m1./s1
InChIKeyUAEQSBQMVTUAMJ-GMUIIQOCSA-N
XLogP4.73
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2,4-dimethyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;molecular hydrogen 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
(2,3-dimethyl-4-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate
CID 137385725
(2,4-dimethyl-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
CID 137372752
(2-methyl-3-pyridinyl) 4-[[(5-methylthiophene-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 137385281
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
(2,3-dimethyl-4-pyridinyl) 4-[(R)-cyclopropyl-[formyl-(5-methylthiophen-2-yl)amino]methyl]piperidine-1-carboxylate
CID 137372874
phenyl 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate
CID 137372890
(4-ethylsulfonylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 99798313
N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride
CID 120590841
N-[2-[1-(2,2-difluoro-2-pyridin-2-ylacetyl)piperidin-4-yl]-1-phenylethyl]-5-methylthiophene-2-carboxamide
CID 137373168
N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 42925486

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;molecular hydrogen?
The IUPAC name of (2,4-dimethyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;molecular hydrogen (CID 142509334) is (2,4-dimethyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;molecular hydrogen.
What is the SMILES notation for (2,4-dimethyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;molecular hydrogen?
The canonical SMILES for (2,4-dimethyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;molecular hydrogen is CC[C@@H](NC(=O)c1ccc(C)s1)C1CCN(C(=O)Oc2c(C)ccnc2C)CC1.[H][H].
What is the InChIKey of (2,4-dimethyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;molecular hydrogen?
The InChIKey is UAEQSBQMVTUAMJ-GMUIIQOCSA-N. The full InChI is InChI=1S/C22H29N3O3S.H2/c1-5-18(24-21(26)19-7-6-15(3)29-19)17-9-12-25(13-10-17)22(27)28-20-14(2)8-11-23-16(20)4;/h6-8,11,17-18H,5,9-10,12-13H2,1-4H3,(H,24,26);1H/t18-;/m1./s1.
What are the key properties of (2,4-dimethyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;molecular hydrogen?
(2,4-dimethyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;molecular hydrogen has a molecular weight of 417.58 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;molecular hydrogen is sourced from PubChem (CID 142509334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).