[1-(2-ethylthieno[3,2-c]pyridin-4-yl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

C21H30N4OS — CID 50838545

IUPAC[1-(2-ethylthieno[3,2-c]pyridin-4-yl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCCc1cc2c(N3CCC(C(=O)N4CCCN(C)CC4)CC3)nccc2s1
InChIInChI=1S/C21H30N4OS/c1-3-17-15-18-19(27-17)5-8-22-20(18)24-11-6-16(7-12-24)21(26)25-10-4-9-23(2)13-14-25/h5,8,15-16H,3-4,6-7,9-14H2,1-2H3
InChIKeyJBJQWWMQQUFOSY-UHFFFAOYSA-N
MW386.57 g/mol
LogP3.24
Rot. Bonds3

About [1-(2-ethylthieno[3,2-c]pyridin-4-yl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

[1-(2-ethylthieno[3,2-c]pyridin-4-yl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 50838545) has the molecular formula C21H30N4OS and a molecular weight of 386.57 g/mol. Its IUPAC name is [1-(2-ethylthieno[3,2-c]pyridin-4-yl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-ethylthieno[3,2-c]pyridin-4-yl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID50838545
Molecular FormulaC21H30N4OS
Molecular Weight386.57 g/mol
Exact Mass386.21
IUPAC Name[1-(2-ethylthieno[3,2-c]pyridin-4-yl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCCc1cc2c(N3CCC(C(=O)N4CCCN(C)CC4)CC3)nccc2s1
InChIInChI=1S/C21H30N4OS/c1-3-17-15-18-19(27-17)5-8-22-20(18)24-11-6-16(7-12-24)21(26)25-10-4-9-23(2)13-14-25/h5,8,15-16H,3-4,6-7,9-14H2,1-2H3
InChIKeyJBJQWWMQQUFOSY-UHFFFAOYSA-N
XLogP3.24
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.57
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(2-ethylthieno[3,2-c]pyridin-4-yl)-N,N-dimethylpiperidine-3-carboxamide
CID 95092813
[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20883789
(4,4-difluoropiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methanone
CID 163346052
N-cyclopentyl-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362791
[4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone
CID 92885007
N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362775
4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 63388915
[(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92877110
N-(4-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 46395494
S-[4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridin-2-yl]thiohydroxylamine
CID 161254865
[4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone
CID 92885018
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylthieno[3,2-c]pyridin-4-yl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [1-(2-ethylthieno[3,2-c]pyridin-4-yl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (CID 50838545) is [1-(2-ethylthieno[3,2-c]pyridin-4-yl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [1-(2-ethylthieno[3,2-c]pyridin-4-yl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [1-(2-ethylthieno[3,2-c]pyridin-4-yl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is CCc1cc2c(N3CCC(C(=O)N4CCCN(C)CC4)CC3)nccc2s1.
What is the InChIKey of [1-(2-ethylthieno[3,2-c]pyridin-4-yl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is JBJQWWMQQUFOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4OS/c1-3-17-15-18-19(27-17)5-8-22-20(18)24-11-6-16(7-12-24)21(26)25-10-4-9-23(2)13-14-25/h5,8,15-16H,3-4,6-7,9-14H2,1-2H3.
What are the key properties of [1-(2-ethylthieno[3,2-c]pyridin-4-yl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
[1-(2-ethylthieno[3,2-c]pyridin-4-yl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 386.57 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylthieno[3,2-c]pyridin-4-yl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 50838545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).