cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone

C18H25N3O2S — CID 97407214

IUPACcyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cc3c(s2)CCN3C(=O)C2CC2)CC1
InChIInChI=1S/C18H25N3O2S/c1-19(2)13-5-8-20(9-6-13)18(23)16-11-14-15(24-16)7-10-21(14)17(22)12-3-4-12/h11-13H,3-10H2,1-2H3
InChIKeyLXVJNZWSTQQGDB-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.21
Rot. Bonds3

About cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone

cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone (PubChem CID 97407214) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone
PubChem CID97407214
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Namecyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cc3c(s2)CCN3C(=O)C2CC2)CC1
InChIInChI=1S/C18H25N3O2S/c1-19(2)13-5-8-20(9-6-13)18(23)16-11-14-15(24-16)7-10-21(14)17(22)12-3-4-12/h11-13H,3-10H2,1-2H3
InChIKeyLXVJNZWSTQQGDB-UHFFFAOYSA-N
XLogP2.21
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone?
The IUPAC name of cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone (CID 97407214) is cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone?
The canonical SMILES for cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone is CN(C)C1CCN(C(=O)c2cc3c(s2)CCN3C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone?
The InChIKey is LXVJNZWSTQQGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-19(2)13-5-8-20(9-6-13)18(23)16-11-14-15(24-16)7-10-21(14)17(22)12-3-4-12/h11-13H,3-10H2,1-2H3.
What are the key properties of cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone?
cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone has a molecular weight of 347.48 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone is sourced from PubChem (CID 97407214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).