(5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one

C24H31N5O3S — CID 58117656

IUPAC(5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one
SMILESCc1ccc(OC2CCN(c3nc4c(c(N[C@H]5CCC(=O)N(C)C5)n3)S(=O)CC4)CC2)cc1
InChIInChI=1S/C24H31N5O3S/c1-16-3-6-18(7-4-16)32-19-9-12-29(13-10-19)24-26-20-11-14-33(31)22(20)23(27-24)25-17-5-8-21(30)28(2)15-17/h3-4,6-7,17,19H,5,8-15H2,1-2H3,(H,25,26,27)/t17-,33?/m0/s1
InChIKeyZFTAPJWPOPVDTP-PELDHITCSA-N
MW469.61 g/mol
LogP2.53
Rot. Bonds5

About (5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one

(5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one (PubChem CID 58117656) has the molecular formula C24H31N5O3S and a molecular weight of 469.61 g/mol. Its IUPAC name is (5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name(5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one
PubChem CID58117656
Molecular FormulaC24H31N5O3S
Molecular Weight469.61 g/mol
Exact Mass469.21
IUPAC Name(5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one
SMILESCc1ccc(OC2CCN(c3nc4c(c(N[C@H]5CCC(=O)N(C)C5)n3)S(=O)CC4)CC2)cc1
InChIInChI=1S/C24H31N5O3S/c1-16-3-6-18(7-4-16)32-19-9-12-29(13-10-19)24-26-20-11-14-33(31)22(20)23(27-24)25-17-5-8-21(30)28(2)15-17/h3-4,6-7,17,19H,5,8-15H2,1-2H3,(H,25,26,27)/t17-,33?/m0/s1
InChIKeyZFTAPJWPOPVDTP-PELDHITCSA-N
XLogP2.53
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one?
The IUPAC name of (5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one (CID 58117656) is (5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one.
What is the SMILES notation for (5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one?
The canonical SMILES for (5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one is Cc1ccc(OC2CCN(c3nc4c(c(N[C@H]5CCC(=O)N(C)C5)n3)S(=O)CC4)CC2)cc1.
What is the InChIKey of (5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one?
The InChIKey is ZFTAPJWPOPVDTP-PELDHITCSA-N. The full InChI is InChI=1S/C24H31N5O3S/c1-16-3-6-18(7-4-16)32-19-9-12-29(13-10-19)24-26-20-11-14-33(31)22(20)23(27-24)25-17-5-8-21(30)28(2)15-17/h3-4,6-7,17,19H,5,8-15H2,1-2H3,(H,25,26,27)/t17-,33?/m0/s1.
What are the key properties of (5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one?
(5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one has a molecular weight of 469.61 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-methyl-5-[[2-[4-(4-methylphenoxy)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one is sourced from PubChem (CID 58117656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).