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

C17H18ClN3O3S — CID 55876832

IUPACmethyl 2-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H18ClN3O3S/c1-24-17(23)13-6-9-25-16(13)20-15(22)11-4-7-21(8-5-11)14-3-2-12(18)10-19-14/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,20,22)
InChIKeyYXXMDOWOWJKGMJ-UHFFFAOYSA-N
MW379.87 g/mol
LogP3.44
Rot. Bonds4

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

methyl 2-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate (PubChem CID 55876832) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is methyl 2-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate
PubChem CID55876832
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Namemethyl 2-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H18ClN3O3S/c1-24-17(23)13-6-9-25-16(13)20-15(22)11-4-7-21(8-5-11)14-3-2-12(18)10-19-14/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,20,22)
InChIKeyYXXMDOWOWJKGMJ-UHFFFAOYSA-N
XLogP3.44
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate
CID 38967933
1-(5-chloro-2-pyridinyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55687112
N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38969415
N-(2-chlorophenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38952409
1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71935267
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 39466788
1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide
CID 47918136
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38983045
N-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 60581329
1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 39394641
1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide
CID 126781633

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate (CID 55876832) is methyl 2-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of methyl 2-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate?
The InChIKey is YXXMDOWOWJKGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c1-24-17(23)13-6-9-25-16(13)20-15(22)11-4-7-21(8-5-11)14-3-2-12(18)10-19-14/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,20,22).
What are the key properties of methyl 2-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate?
methyl 2-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate has a molecular weight of 379.87 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 55876832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).