6-[1-(1-methylpiperidin-4-yl)piperidine-3-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C19H29N5O2 — CID 136988453

IUPAC6-[1-(1-methylpiperidin-4-yl)piperidine-3-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCN1CCC(N2CCCC(C(=O)N3CCc4nc[nH]c(=O)c4C3)C2)CC1
InChIInChI=1S/C19H29N5O2/c1-22-8-4-15(5-9-22)23-7-2-3-14(11-23)19(26)24-10-6-17-16(12-24)18(25)21-13-20-17/h13-15H,2-12H2,1H3,(H,20,21,25)
InChIKeyCGGFZXZIWQYYSI-UHFFFAOYSA-N
MW359.47 g/mol
LogP0.46
Rot. Bonds2

About 6-[1-(1-methylpiperidin-4-yl)piperidine-3-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[1-(1-methylpiperidin-4-yl)piperidine-3-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136988453) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 6-[1-(1-methylpiperidin-4-yl)piperidine-3-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[1-(1-methylpiperidin-4-yl)piperidine-3-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136988453
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name6-[1-(1-methylpiperidin-4-yl)piperidine-3-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCN1CCC(N2CCCC(C(=O)N3CCc4nc[nH]c(=O)c4C3)C2)CC1
InChIInChI=1S/C19H29N5O2/c1-22-8-4-15(5-9-22)23-7-2-3-14(11-23)19(26)24-10-6-17-16(12-24)18(25)21-13-20-17/h13-15H,2-12H2,1H3,(H,20,21,25)
InChIKeyCGGFZXZIWQYYSI-UHFFFAOYSA-N
XLogP0.46
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[1-(1-methylpiperidin-4-yl)piperidine-3-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

5-{[4-(6-Hydroxypyrimidin-4-yl)piperidin-1-yl]carbonyl}-1-isobutylpiperidin-2-one
CID 136282739
6-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 136988503
5,6-Dimethyl-3-{[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126941086
5,6-Dimethyl-3-({1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126941391
3-{[1-(6-Oxopiperidine-3-carbonyl)piperidin-4-yl]methyl}-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 126942046
3-({1-[(6-Oxopiperidin-3-yl)methyl]piperidin-4-yl}methyl)-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 126942337
6-Tert-butyl-3-{[1-(6-oxopiperidine-3-carbonyl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126944283
6-Tert-butyl-3-({1-[(6-oxopiperidin-3-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126944577
7-[(1R,9aR)-octahydro-2H-quinolizin-1-ylcarbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136052627
2-amino-7-[(6-oxo-1-propylpiperidin-3-yl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136147268
N-[2-(6-hydroxy-4-pyrimidinyl)ethyl]-1-isopropyl-3-piperidinecarboxamide
CID 136231804
6-{1-[(1-Isopropyl-4-piperidinyl)acetyl]-3-piperidinyl}-4-pyrimidinol
CID 136233463

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-methylpiperidin-4-yl)piperidine-3-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[1-(1-methylpiperidin-4-yl)piperidine-3-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136988453) is 6-[1-(1-methylpiperidin-4-yl)piperidine-3-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[1-(1-methylpiperidin-4-yl)piperidine-3-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[1-(1-methylpiperidin-4-yl)piperidine-3-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CN1CCC(N2CCCC(C(=O)N3CCc4nc[nH]c(=O)c4C3)C2)CC1.
What is the InChIKey of 6-[1-(1-methylpiperidin-4-yl)piperidine-3-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is CGGFZXZIWQYYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-22-8-4-15(5-9-22)23-7-2-3-14(11-23)19(26)24-10-6-17-16(12-24)18(25)21-13-20-17/h13-15H,2-12H2,1H3,(H,20,21,25).
What are the key properties of 6-[1-(1-methylpiperidin-4-yl)piperidine-3-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[1-(1-methylpiperidin-4-yl)piperidine-3-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 359.47 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-methylpiperidin-4-yl)piperidine-3-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136988453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).