2-[2-(4-methylpiperazine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide

C19H28N4O3S — CID 170510981

IUPAC2-[2-(4-methylpiperazine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide
SMILESCN1CCN(C(=O)c2cc3c(s2)C2(CCN(CC(N)=O)CC2)OCC3)CC1
InChIInChI=1S/C19H28N4O3S/c1-21-7-9-23(10-8-21)18(25)15-12-14-2-11-26-19(17(14)27-15)3-5-22(6-4-19)13-16(20)24/h12H,2-11,13H2,1H3,(H2,20,24)
InChIKeyICZQPINBIRPKNX-UHFFFAOYSA-N
MW392.53 g/mol
LogP0.48
Rot. Bonds3

About 2-[2-(4-methylpiperazine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide

2-[2-(4-methylpiperazine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide (PubChem CID 170510981) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide.

Molecular Properties

Compound Name2-[2-(4-methylpiperazine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide
PubChem CID170510981
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Name2-[2-(4-methylpiperazine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide
SMILESCN1CCN(C(=O)c2cc3c(s2)C2(CCN(CC(N)=O)CC2)OCC3)CC1
InChIInChI=1S/C19H28N4O3S/c1-21-7-9-23(10-8-21)18(25)15-12-14-2-11-26-19(17(14)27-15)3-5-22(6-4-19)13-16(20)24/h12H,2-11,13H2,1H3,(H2,20,24)
InChIKeyICZQPINBIRPKNX-UHFFFAOYSA-N
XLogP0.48
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-hydroxypiperidine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide
CID 170509344
[1'-(3-methylbut-2-enyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]-morpholin-4-ylmethanone
CID 170508862
1'-(2-amino-2-oxoethyl)-N-(oxan-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 170506403
1'-(2-amino-1,3-thiazole-5-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 164692583
morpholin-4-yl-[1'-(1,3-oxazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanone
CID 169418134
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylmethanone
CID 164699150
1'-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 164693002
1'-(2-chloro-5-fluorobenzoyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 164691702
1'-(2-aminopyridine-4-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 166615546
1'-[2-(1,4-dioxan-2-yl)ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 163311020
1'-(1-oxo-2,3-dihydroindene-4-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 164695522
1'-[[4-(dimethylcarbamoyl)phenyl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 164688286

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide?
The IUPAC name of 2-[2-(4-methylpiperazine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide (CID 170510981) is 2-[2-(4-methylpiperazine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide.
What is the SMILES notation for 2-[2-(4-methylpiperazine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide?
The canonical SMILES for 2-[2-(4-methylpiperazine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide is CN1CCN(C(=O)c2cc3c(s2)C2(CCN(CC(N)=O)CC2)OCC3)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide?
The InChIKey is ICZQPINBIRPKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-21-7-9-23(10-8-21)18(25)15-12-14-2-11-26-19(17(14)27-15)3-5-22(6-4-19)13-16(20)24/h12H,2-11,13H2,1H3,(H2,20,24).
What are the key properties of 2-[2-(4-methylpiperazine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide?
2-[2-(4-methylpiperazine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide has a molecular weight of 392.53 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide is sourced from PubChem (CID 170510981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).