(4-amino-3,3-dimethylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone

C19H22N2O2S — CID 120814483

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CCC1N
InChIInChI=1S/C19H22N2O2S/c1-19(2)11-21(8-7-16(19)20)18(22)15-9-12-10-23-14-6-4-3-5-13(14)17(12)24-15/h3-6,9,16H,7-8,10-11,20H2,1-2H3
InChIKeyZYWRMBXWVMPEDU-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.51
Rot. Bonds1

About (4-amino-3,3-dimethylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone (PubChem CID 120814483) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
PubChem CID120814483
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CCC1N
InChIInChI=1S/C19H22N2O2S/c1-19(2)11-21(8-7-16(19)20)18(22)15-9-12-10-23-14-6-4-3-5-13(14)17(12)24-15/h3-6,9,16H,7-8,10-11,20H2,1-2H3
InChIKeyZYWRMBXWVMPEDU-UHFFFAOYSA-N
XLogP3.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-1-(4H-thieno[3,2-c]chromene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119259559
(4-benzylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 20877862
(2-methylmorpholin-4-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 17466146
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 55330129
[4-(3-methylphenyl)piperazin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 25398083
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253191
4H-thieno[3,2-c]chromene-2-carboxylate
CID 2113887
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 18104061
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
N-(3-methyl-2-pyridinyl)-1-(4H-thieno[3,2-c]chromene-2-carbonyl)piperidine-3-carboxamide
CID 55895783
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 114267652
N-prop-2-enyl-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide
CID 17409323

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone (CID 120814483) is (4-amino-3,3-dimethylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone is CC1(C)CN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CCC1N.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone?
The InChIKey is ZYWRMBXWVMPEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-19(2)11-21(8-7-16(19)20)18(22)15-9-12-10-23-14-6-4-3-5-13(14)17(12)24-15/h3-6,9,16H,7-8,10-11,20H2,1-2H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone has a molecular weight of 342.46 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone is sourced from PubChem (CID 120814483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).