2-methyl-7-[4-(2-oxopiperidin-1-yl)butanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C17H24N4O3 — CID 135990843

IUPAC2-methyl-7-[4-(2-oxopiperidin-1-yl)butanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCN(C(=O)CCCN1CCCCC1=O)C2
InChIInChI=1S/C17H24N4O3/c1-12-18-14-11-21(10-7-13(14)17(24)19-12)16(23)6-4-9-20-8-3-2-5-15(20)22/h2-11H2,1H3,(H,18,19,24)
InChIKeyWRUIDMMVDRLXIO-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.76
Rot. Bonds4

About 2-methyl-7-[4-(2-oxopiperidin-1-yl)butanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-methyl-7-[4-(2-oxopiperidin-1-yl)butanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135990843) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-methyl-7-[4-(2-oxopiperidin-1-yl)butanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-7-[4-(2-oxopiperidin-1-yl)butanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135990843
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-methyl-7-[4-(2-oxopiperidin-1-yl)butanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCN(C(=O)CCCN1CCCCC1=O)C2
InChIInChI=1S/C17H24N4O3/c1-12-18-14-11-21(10-7-13(14)17(24)19-12)16(23)6-4-9-20-8-3-2-5-15(20)22/h2-11H2,1H3,(H,18,19,24)
InChIKeyWRUIDMMVDRLXIO-UHFFFAOYSA-N
XLogP0.76
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Aminoethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 11367765
2,4-dimethyl-5-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136124579
2-(cyclopropylmethyl)-7-[3-(1-methyl-3-piperidinyl)propanoyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136216809
2-(cyclopropylmethyl)-7-[(1-isopropyl-4-piperidinyl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136217057
3-{[2-(cyclopropylmethyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7(3H)-yl]carbonyl}-1-piperidinecarboxamide
CID 136218514
2-(cyclopropylmethyl)-7-[(1-isopropyl-3-piperidinyl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136244440
7-Acetyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796538
7-(Cyclopropanecarbonyl)-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796586
2-[1-(Cyclopropanecarbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796627
N-(1-cycloheptyl-3-piperidinyl)-2-(2,4-dimethyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetamide
CID 136102800
N-(4,4-difluoropiperidin-3-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 138001618
2,4-dimethyl-5-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1H-pyrimidin-6-one
CID 138992092

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[4-(2-oxopiperidin-1-yl)butanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-7-[4-(2-oxopiperidin-1-yl)butanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135990843) is 2-methyl-7-[4-(2-oxopiperidin-1-yl)butanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-7-[4-(2-oxopiperidin-1-yl)butanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-7-[4-(2-oxopiperidin-1-yl)butanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CCN(C(=O)CCCN1CCCCC1=O)C2.
What is the InChIKey of 2-methyl-7-[4-(2-oxopiperidin-1-yl)butanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is WRUIDMMVDRLXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12-18-14-11-21(10-7-13(14)17(24)19-12)16(23)6-4-9-20-8-3-2-5-15(20)22/h2-11H2,1H3,(H,18,19,24).
What are the key properties of 2-methyl-7-[4-(2-oxopiperidin-1-yl)butanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-methyl-7-[4-(2-oxopiperidin-1-yl)butanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 332.40 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[4-(2-oxopiperidin-1-yl)butanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135990843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).