1-benzoyl-N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidine-2-carboxamide

C23H26N4O3S — CID 131927568

IUPAC1-benzoyl-N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidine-2-carboxamide
SMILESCc1sc2nc(CCNC(=O)C3CCCCN3C(=O)c3ccccc3)[nH]c(=O)c2c1C
InChIInChI=1S/C23H26N4O3S/c1-14-15(2)31-22-19(14)21(29)25-18(26-22)11-12-24-20(28)17-10-6-7-13-27(17)23(30)16-8-4-3-5-9-16/h3-5,8-9,17H,6-7,10-13H2,1-2H3,(H,24,28)(H,25,26,29)
InChIKeyHKSVMZHOBQQSGC-UHFFFAOYSA-N
MW438.55 g/mol
LogP2.96
Rot. Bonds5

About 1-benzoyl-N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidine-2-carboxamide

1-benzoyl-N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidine-2-carboxamide (PubChem CID 131927568) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 1-benzoyl-N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidine-2-carboxamide
PubChem CID131927568
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name1-benzoyl-N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidine-2-carboxamide
SMILESCc1sc2nc(CCNC(=O)C3CCCCN3C(=O)c3ccccc3)[nH]c(=O)c2c1C
InChIInChI=1S/C23H26N4O3S/c1-14-15(2)31-22-19(14)21(29)25-18(26-22)11-12-24-20(28)17-10-6-7-13-27(17)23(30)16-8-4-3-5-9-16/h3-5,8-9,17H,6-7,10-13H2,1-2H3,(H,24,28)(H,25,26,29)
InChIKeyHKSVMZHOBQQSGC-UHFFFAOYSA-N
XLogP2.96
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-benzoyl-N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidine-2-carboxamide with MolForge

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Related Compounds

(2S)-1-benzoyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide
CID 95990027
1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503511
1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide
CID 110887535
5,6-dimethyl-2-[[4-[(2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 27275823
1-benzoyl-N-(3-hydroxy-4-methylpentyl)piperidine-2-carboxamide
CID 111461020
2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47993878
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 71893595
methyl (2S)-2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 137148249
N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119498752
5,6-dimethyl-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 2368549
1-benzoyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine-2-carboxamide
CID 131929739
N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 131924909

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidine-2-carboxamide (CID 131927568) is 1-benzoyl-N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidine-2-carboxamide is Cc1sc2nc(CCNC(=O)C3CCCCN3C(=O)c3ccccc3)[nH]c(=O)c2c1C.
What is the InChIKey of 1-benzoyl-N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is HKSVMZHOBQQSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-14-15(2)31-22-19(14)21(29)25-18(26-22)11-12-24-20(28)17-10-6-7-13-27(17)23(30)16-8-4-3-5-9-16/h3-5,8-9,17H,6-7,10-13H2,1-2H3,(H,24,28)(H,25,26,29).
What are the key properties of 1-benzoyl-N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidine-2-carboxamide?
1-benzoyl-N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 131927568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).