1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide

C24H29N5O2S — CID 30270407

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)Nc4ccc(N5CCOCC5)cc4)CC3)c2c1C
InChIInChI=1S/C24H29N5O2S/c1-16-17(2)32-24-21(16)22(25-15-26-24)29-9-7-18(8-10-29)23(30)27-19-3-5-20(6-4-19)28-11-13-31-14-12-28/h3-6,15,18H,7-14H2,1-2H3,(H,27,30)
InChIKeyDEVBWMWYEMJSQL-UHFFFAOYSA-N
MW451.60 g/mol
LogP4.00
Rot. Bonds4

About 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide (PubChem CID 30270407) has the molecular formula C24H29N5O2S and a molecular weight of 451.60 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
PubChem CID30270407
Molecular FormulaC24H29N5O2S
Molecular Weight451.60 g/mol
Exact Mass451.20
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)Nc4ccc(N5CCOCC5)cc4)CC3)c2c1C
InChIInChI=1S/C24H29N5O2S/c1-16-17(2)32-24-21(16)22(25-15-26-24)29-9-7-18(8-10-29)23(30)27-19-3-5-20(6-4-19)28-11-13-31-14-12-28/h3-6,15,18H,7-14H2,1-2H3,(H,27,30)
InChIKeyDEVBWMWYEMJSQL-UHFFFAOYSA-N
XLogP4.00
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.60
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide (CID 30270407) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide is Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(N5CCOCC5)cc4)CC3)c2c1C.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The InChIKey is DEVBWMWYEMJSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2S/c1-16-17(2)32-24-21(16)22(25-15-26-24)29-9-7-18(8-10-29)23(30)27-19-3-5-20(6-4-19)28-11-13-31-14-12-28/h3-6,15,18H,7-14H2,1-2H3,(H,27,30).
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide has a molecular weight of 451.60 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 30270407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).