3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

C23H29N3O2S — CID 16671026

IUPAC3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(C3CC3)n(C3CCN(C(=O)C4CC=CCC4)CC3)c(=O)c2c1C
InChIInChI=1S/C23H29N3O2S/c1-14-15(2)29-21-19(14)23(28)26(20(24-21)16-8-9-16)18-10-12-25(13-11-18)22(27)17-6-4-3-5-7-17/h3-4,16-18H,5-13H2,1-2H3
InChIKeyHDOXHHNLDUGETD-UHFFFAOYSA-N
MW411.57 g/mol
LogP4.47
Rot. Bonds3

About 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 16671026) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
PubChem CID16671026
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC Name3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(C3CC3)n(C3CCN(C(=O)C4CC=CCC4)CC3)c(=O)c2c1C
InChIInChI=1S/C23H29N3O2S/c1-14-15(2)29-21-19(14)23(28)26(20(24-21)16-8-9-16)18-10-12-25(13-11-18)22(27)17-6-4-3-5-7-17/h3-4,16-18H,5-13H2,1-2H3
InChIKeyHDOXHHNLDUGETD-UHFFFAOYSA-N
XLogP4.47
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 1453222
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CID 4138177
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CID 3651578
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CID 621369
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CID 706057
CID 706057
CID 866626
CID 866626
CID 1453244
CID 1453244
CID 1882806
CID 1882806
CID 2053979
CID 2053979
CID 2108029
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CID 2158377
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CID 2589460
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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (CID 16671026) is 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(C3CC3)n(C3CCN(C(=O)C4CC=CCC4)CC3)c(=O)c2c1C.
What is the InChIKey of 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is HDOXHHNLDUGETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-14-15(2)29-21-19(14)23(28)26(20(24-21)16-8-9-16)18-10-12-25(13-11-18)22(27)17-6-4-3-5-7-17/h3-4,16-18H,5-13H2,1-2H3.
What are the key properties of 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 411.57 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 16671026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).