10-[2-[2-[(dimethylamino)methyl]piperidin-1-yl]acetyl]-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one

C21H28N4O2S — CID 150210505

IUPAC10-[2-[2-[(dimethylamino)methyl]piperidin-1-yl]acetyl]-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one
SMILESCN(C)CC1CCCCN1CC(=O)N1C2=C(CSC2)C(=O)Nc2ccccc21
InChIInChI=1S/C21H28N4O2S/c1-23(2)11-15-7-5-6-10-24(15)12-20(26)25-18-9-4-3-8-17(18)22-21(27)16-13-28-14-19(16)25/h3-4,8-9,15H,5-7,10-14H2,1-2H3,(H,22,27)
InChIKeyFRJQVHJRXGEGMZ-UHFFFAOYSA-N
MW400.55 g/mol
LogP2.39
Rot. Bonds4

About 10-[2-[2-[(dimethylamino)methyl]piperidin-1-yl]acetyl]-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one

10-[2-[2-[(dimethylamino)methyl]piperidin-1-yl]acetyl]-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one (PubChem CID 150210505) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is 10-[2-[2-[(dimethylamino)methyl]piperidin-1-yl]acetyl]-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name10-[2-[2-[(dimethylamino)methyl]piperidin-1-yl]acetyl]-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one
PubChem CID150210505
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC Name10-[2-[2-[(dimethylamino)methyl]piperidin-1-yl]acetyl]-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one
SMILESCN(C)CC1CCCCN1CC(=O)N1C2=C(CSC2)C(=O)Nc2ccccc21
InChIInChI=1S/C21H28N4O2S/c1-23(2)11-15-7-5-6-10-24(15)12-20(26)25-18-9-4-3-8-17(18)22-21(27)16-13-28-14-19(16)25/h3-4,8-9,15H,5-7,10-14H2,1-2H3,(H,22,27)
InChIKeyFRJQVHJRXGEGMZ-UHFFFAOYSA-N
XLogP2.39
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

10-ethyl-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one
CID 12521636
11-[3-(2-methylpiperidin-1-yl)propanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one
CID 12834701
(4R)-5-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 95333221
9-chloro-11-[2-[2-[[ethyl(methyl)amino]methyl]azepan-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 70357673
N-[3-[2-[(dimethylamino)methyl]piperidin-1-yl]propyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
CID 14210031
11-[2-[2-[4-(diethylamino)butyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 14374298
11-[2-[2-[(butan-2-ylamino)methyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 70475556
10-bromo-11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 22156753
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)ethanone
CID 62889309
2-(2-ethylpiperidin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109004744
2-[2-[(dimethylamino)methyl]piperidin-1-yl]acetamide
CID 14209997
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-one
CID 62888278

Frequently Asked Questions

What is the IUPAC name of 10-[2-[2-[(dimethylamino)methyl]piperidin-1-yl]acetyl]-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one?
The IUPAC name of 10-[2-[2-[(dimethylamino)methyl]piperidin-1-yl]acetyl]-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one (CID 150210505) is 10-[2-[2-[(dimethylamino)methyl]piperidin-1-yl]acetyl]-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one.
What is the SMILES notation for 10-[2-[2-[(dimethylamino)methyl]piperidin-1-yl]acetyl]-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one?
The canonical SMILES for 10-[2-[2-[(dimethylamino)methyl]piperidin-1-yl]acetyl]-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one is CN(C)CC1CCCCN1CC(=O)N1C2=C(CSC2)C(=O)Nc2ccccc21.
What is the InChIKey of 10-[2-[2-[(dimethylamino)methyl]piperidin-1-yl]acetyl]-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one?
The InChIKey is FRJQVHJRXGEGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-23(2)11-15-7-5-6-10-24(15)12-20(26)25-18-9-4-3-8-17(18)22-21(27)16-13-28-14-19(16)25/h3-4,8-9,15H,5-7,10-14H2,1-2H3,(H,22,27).
What are the key properties of 10-[2-[2-[(dimethylamino)methyl]piperidin-1-yl]acetyl]-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one?
10-[2-[2-[(dimethylamino)methyl]piperidin-1-yl]acetyl]-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one has a molecular weight of 400.55 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[2-[(dimethylamino)methyl]piperidin-1-yl]acetyl]-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one is sourced from PubChem (CID 150210505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).