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

C22H29N5O3 — CID 136795548

IUPAC2-[1-(2-methoxypyridine-4-carbonyl)piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1cc(C(=O)N2CCC(c3nc4c(c(=O)[nH]3)CN(C(C)C)CC4)CC2)ccn1
InChIInChI=1S/C22H29N5O3/c1-14(2)27-11-7-18-17(13-27)21(28)25-20(24-18)15-5-9-26(10-6-15)22(29)16-4-8-23-19(12-16)30-3/h4,8,12,14-15H,5-7,9-11,13H2,1-3H3,(H,24,25,28)
InChIKeyJQPASOFJZYTMEZ-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.96
Rot. Bonds4

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

2-[1-(2-methoxypyridine-4-carbonyl)piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136795548) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-[1-(2-methoxypyridine-4-carbonyl)piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-(2-methoxypyridine-4-carbonyl)piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136795548
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name2-[1-(2-methoxypyridine-4-carbonyl)piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1cc(C(=O)N2CCC(c3nc4c(c(=O)[nH]3)CN(C(C)C)CC4)CC2)ccn1
InChIInChI=1S/C22H29N5O3/c1-14(2)27-11-7-18-17(13-27)21(28)25-20(24-18)15-5-9-26(10-6-15)22(29)16-4-8-23-19(12-16)30-3/h4,8,12,14-15H,5-7,9-11,13H2,1-3H3,(H,24,25,28)
InChIKeyJQPASOFJZYTMEZ-UHFFFAOYSA-N
XLogP1.96
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795541
(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200428
2-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136891278
2-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136891277
1-(2-methoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 84580487
6-[(5-methylthiophen-3-yl)methyl]-2-[1-(pyridine-4-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796028
6-propan-2-yl-2-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891216
6-(4-methylcyclohexyl)-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795919
6-butanoyl-2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795974
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 129492955
6-(cyclohexylmethyl)-2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795689
6-ethylsulfonyl-2-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136797172

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxypyridine-4-carbonyl)piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[1-(2-methoxypyridine-4-carbonyl)piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136795548) is 2-[1-(2-methoxypyridine-4-carbonyl)piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-(2-methoxypyridine-4-carbonyl)piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-(2-methoxypyridine-4-carbonyl)piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1cc(C(=O)N2CCC(c3nc4c(c(=O)[nH]3)CN(C(C)C)CC4)CC2)ccn1.
What is the InChIKey of 2-[1-(2-methoxypyridine-4-carbonyl)piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is JQPASOFJZYTMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-14(2)27-11-7-18-17(13-27)21(28)25-20(24-18)15-5-9-26(10-6-15)22(29)16-4-8-23-19(12-16)30-3/h4,8,12,14-15H,5-7,9-11,13H2,1-3H3,(H,24,25,28).
What are the key properties of 2-[1-(2-methoxypyridine-4-carbonyl)piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-[1-(2-methoxypyridine-4-carbonyl)piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 411.51 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxypyridine-4-carbonyl)piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136795548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).