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

C21H26N4O2S — CID 136796048

IUPAC2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(c1cccs1)N1CCc2nc(C3CCN(CC4CC4)CC3)[nH]c(=O)c2C1
InChIInChI=1S/C21H26N4O2S/c26-20-16-13-25(21(27)18-2-1-11-28-18)10-7-17(16)22-19(23-20)15-5-8-24(9-6-15)12-14-3-4-14/h1-2,11,14-15H,3-10,12-13H2,(H,22,23,26)
InChIKeyVMVHNDZNXFXKLH-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.62
Rot. Bonds4

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

2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136796048) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136796048
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(c1cccs1)N1CCc2nc(C3CCN(CC4CC4)CC3)[nH]c(=O)c2C1
InChIInChI=1S/C21H26N4O2S/c26-20-16-13-25(21(27)18-2-1-11-28-18)10-7-17(16)22-19(23-20)15-5-8-24(9-6-15)12-14-3-4-14/h1-2,11,14-15H,3-10,12-13H2,(H,22,23,26)
InChIKeyVMVHNDZNXFXKLH-UHFFFAOYSA-N
XLogP2.62
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(cyclohexylmethyl)piperidin-4-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796045
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-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
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
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
6-(cyclohexylmethyl)-2-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136681630
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-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
2-[(2S)-1-(2-methylpropanoyl)piperidin-2-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136860325
7-(thiophene-2-carbonyl)-2-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681688

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136796048) is 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(c1cccs1)N1CCc2nc(C3CCN(CC4CC4)CC3)[nH]c(=O)c2C1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is VMVHNDZNXFXKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c26-20-16-13-25(21(27)18-2-1-11-28-18)10-7-17(16)22-19(23-20)15-5-8-24(9-6-15)12-14-3-4-14/h1-2,11,14-15H,3-10,12-13H2,(H,22,23,26).
What are the key properties of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 398.53 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136796048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).