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

C17H22N4OS — CID 137149576

IUPAC2-[(2R)-piperidin-2-yl]-7-(thiophen-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c([C@H]2CCCCN2)nc2c1CCN(Cc1ccsc1)C2
InChIInChI=1S/C17H22N4OS/c22-17-13-4-7-21(9-12-5-8-23-11-12)10-15(13)19-16(20-17)14-3-1-2-6-18-14/h5,8,11,14,18H,1-4,6-7,9-10H2,(H,19,20,22)/t14-/m1/s1
InChIKeyUUWKEWXITBPPFX-CQSZACIVSA-N
MW330.46 g/mol
LogP2.20
Rot. Bonds3

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

2-[(2R)-piperidin-2-yl]-7-(thiophen-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 137149576) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-[(2R)-piperidin-2-yl]-7-(thiophen-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2R)-piperidin-2-yl]-7-(thiophen-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID137149576
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name2-[(2R)-piperidin-2-yl]-7-(thiophen-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c([C@H]2CCCCN2)nc2c1CCN(Cc1ccsc1)C2
InChIInChI=1S/C17H22N4OS/c22-17-13-4-7-21(9-12-5-8-23-11-12)10-15(13)19-16(20-17)14-3-1-2-6-18-14/h5,8,11,14,18H,1-4,6-7,9-10H2,(H,19,20,22)/t14-/m1/s1
InChIKeyUUWKEWXITBPPFX-CQSZACIVSA-N
XLogP2.20
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-7-(pyridin-4-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867260
2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867209
2-cyclohexyl-7-[(4-methoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865920
2-amino-6-(thiophen-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861200
2-cyclohexyl-7-[(2-hydroxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865980
6-(cyclohexylmethyl)-2-piperidin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;dihydrochloride
CID 171688101
2-cyclohexyl-7-[(3,4-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865019
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-cyclopropyl-7-[(3,4-dichlorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864976
7-(pyridin-4-ylmethyl)-2-[(2S)-1-(thiophene-2-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681635
5-cyclopropyl-12-(thiophen-3-ylmethyl)-2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 95800622
7-methylsulfonyl-2-[1-(2-thiophen-3-ylacetyl)pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796918

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-piperidin-2-yl]-7-(thiophen-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[(2R)-piperidin-2-yl]-7-(thiophen-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 137149576) is 2-[(2R)-piperidin-2-yl]-7-(thiophen-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(2R)-piperidin-2-yl]-7-(thiophen-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[(2R)-piperidin-2-yl]-7-(thiophen-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c([C@H]2CCCCN2)nc2c1CCN(Cc1ccsc1)C2.
What is the InChIKey of 2-[(2R)-piperidin-2-yl]-7-(thiophen-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is UUWKEWXITBPPFX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4OS/c22-17-13-4-7-21(9-12-5-8-23-11-12)10-15(13)19-16(20-17)14-3-1-2-6-18-14/h5,8,11,14,18H,1-4,6-7,9-10H2,(H,19,20,22)/t14-/m1/s1.
What are the key properties of 2-[(2R)-piperidin-2-yl]-7-(thiophen-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-[(2R)-piperidin-2-yl]-7-(thiophen-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 330.46 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-piperidin-2-yl]-7-(thiophen-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137149576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).