6-(thiophene-2-carbonyl)-2-[1-(thiophen-3-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C22H24N4O2S2 — CID 136796109

IUPAC6-(thiophene-2-carbonyl)-2-[1-(thiophen-3-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(c1cccs1)N1CCc2nc(C3CCCN(Cc4ccsc4)C3)[nH]c(=O)c2C1
InChIInChI=1S/C22H24N4O2S2/c27-21-17-13-26(22(28)19-4-2-9-30-19)8-5-18(17)23-20(24-21)16-3-1-7-25(12-16)11-15-6-10-29-14-15/h2,4,6,9-10,14,16H,1,3,5,7-8,11-13H2,(H,23,24,27)
InChIKeyZIXMTVYFDBEUMQ-UHFFFAOYSA-N
MW440.59 g/mol
LogP3.47
Rot. Bonds4

About 6-(thiophene-2-carbonyl)-2-[1-(thiophen-3-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-(thiophene-2-carbonyl)-2-[1-(thiophen-3-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136796109) has the molecular formula C22H24N4O2S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 6-(thiophene-2-carbonyl)-2-[1-(thiophen-3-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(thiophene-2-carbonyl)-2-[1-(thiophen-3-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136796109
Molecular FormulaC22H24N4O2S2
Molecular Weight440.59 g/mol
Exact Mass440.13
IUPAC Name6-(thiophene-2-carbonyl)-2-[1-(thiophen-3-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(c1cccs1)N1CCc2nc(C3CCCN(Cc4ccsc4)C3)[nH]c(=O)c2C1
InChIInChI=1S/C22H24N4O2S2/c27-21-17-13-26(22(28)19-4-2-9-30-19)8-5-18(17)23-20(24-21)16-3-1-7-25(12-16)11-15-6-10-29-14-15/h2,4,6,9-10,14,16H,1,3,5,7-8,11-13H2,(H,23,24,27)
InChIKeyZIXMTVYFDBEUMQ-UHFFFAOYSA-N
XLogP3.47
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(thiophene-2-carbonyl)-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796108
2-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136764019
2-[(3R)-1-propanoylpiperidin-3-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891916
2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796167
2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796048
2-[1-(cyclohexylmethyl)piperidin-4-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796045
2-[(2S)-1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136681663
2-[1-(2-methylbutanoyl)piperidin-3-yl]-6-(thiophen-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796206
2-[(3S)-1-[(2R)-2-methylbutanoyl]piperidin-3-yl]-6-(thiophen-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136892056
2-[1-(2-methoxyacetyl)pyrrolidin-2-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796830
2-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136681667
6-(cyclopropanecarbonyl)-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136735552

Frequently Asked Questions

What is the IUPAC name of 6-(thiophene-2-carbonyl)-2-[1-(thiophen-3-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(thiophene-2-carbonyl)-2-[1-(thiophen-3-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136796109) is 6-(thiophene-2-carbonyl)-2-[1-(thiophen-3-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(thiophene-2-carbonyl)-2-[1-(thiophen-3-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(thiophene-2-carbonyl)-2-[1-(thiophen-3-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(c1cccs1)N1CCc2nc(C3CCCN(Cc4ccsc4)C3)[nH]c(=O)c2C1.
What is the InChIKey of 6-(thiophene-2-carbonyl)-2-[1-(thiophen-3-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is ZIXMTVYFDBEUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S2/c27-21-17-13-26(22(28)19-4-2-9-30-19)8-5-18(17)23-20(24-21)16-3-1-7-25(12-16)11-15-6-10-29-14-15/h2,4,6,9-10,14,16H,1,3,5,7-8,11-13H2,(H,23,24,27).
What are the key properties of 6-(thiophene-2-carbonyl)-2-[1-(thiophen-3-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(thiophene-2-carbonyl)-2-[1-(thiophen-3-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 440.59 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thiophene-2-carbonyl)-2-[1-(thiophen-3-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136796109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).