N-(1,3-dimethylpyrazol-4-yl)-2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylacetamide

C18H24N4O2S — CID 164695423

IUPACN-(1,3-dimethylpyrazol-4-yl)-2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylacetamide
SMILESCc1nn(C)cc1NC(=O)CN1CCC2(CC1)OCCc1sccc12
InChIInChI=1S/C18H24N4O2S/c1-13-15(11-21(2)20-13)19-17(23)12-22-7-5-18(6-8-22)14-4-10-25-16(14)3-9-24-18/h4,10-11H,3,5-9,12H2,1-2H3,(H,19,23)
InChIKeySRMKVYFFAWMQIQ-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.29
Rot. Bonds3

About N-(1,3-dimethylpyrazol-4-yl)-2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylacetamide

N-(1,3-dimethylpyrazol-4-yl)-2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylacetamide (PubChem CID 164695423) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylacetamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylacetamide
PubChem CID164695423
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylacetamide
SMILESCc1nn(C)cc1NC(=O)CN1CCC2(CC1)OCCc1sccc12
InChIInChI=1S/C18H24N4O2S/c1-13-15(11-21(2)20-13)19-17(23)12-22-7-5-18(6-8-22)14-4-10-25-16(14)3-9-24-18/h4,10-11H,3,5-9,12H2,1-2H3,(H,19,23)
InChIKeySRMKVYFFAWMQIQ-UHFFFAOYSA-N
XLogP2.29
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-dimethylpyrazol-4-yl)-2-[9-[(2-methyl-1H-imidazol-5-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]acetamide
CID 131929308
N-(1,3-dimethylpyrazol-4-yl)-2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 72839362
tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate
CID 169138473
methyl 3-(2-amino-4-methyl-6-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpyrimidin-5-yl)propanoate
CID 163315085
N-(1,3-dimethylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide
CID 46981177
1'-(oxolan-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 135088982
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CID 135099460
N-(1,3-dimethylpyrazol-4-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 50983046
N-(1,3-dimethylpyrazol-4-yl)-4-thiophen-2-ylbutanamide
CID 134698261
2-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 91843016
N-(1,3-dimethylpyrazol-4-yl)-2-[1-(methylamino)cyclohexyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylacetamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylacetamide (CID 164695423) is N-(1,3-dimethylpyrazol-4-yl)-2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylacetamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylacetamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylacetamide is Cc1nn(C)cc1NC(=O)CN1CCC2(CC1)OCCc1sccc12.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylacetamide?
The InChIKey is SRMKVYFFAWMQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-13-15(11-21(2)20-13)19-17(23)12-22-7-5-18(6-8-22)14-4-10-25-16(14)3-9-24-18/h4,10-11H,3,5-9,12H2,1-2H3,(H,19,23).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylacetamide?
N-(1,3-dimethylpyrazol-4-yl)-2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylacetamide has a molecular weight of 360.48 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylacetamide is sourced from PubChem (CID 164695423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).