2-piperidin-1-yl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one

C24H34N4O4 — CID 136735481

IUPAC2-piperidin-1-yl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCOc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c(OC)c1OC
InChIInChI=1S/C24H34N4O4/c1-30-20-10-9-18(22(31-2)23(20)32-3)16-27-11-7-8-17(15-27)19-14-21(29)26-24(25-19)28-12-5-4-6-13-28/h9-10,14,17H,4-8,11-13,15-16H2,1-3H3,(H,25,26,29)/t17-/m0/s1
InChIKeyWVEGMWQZIWMNQN-KRWDZBQOSA-N
MW442.56 g/mol
LogP3.17
Rot. Bonds7

About 2-piperidin-1-yl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one

2-piperidin-1-yl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136735481) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-piperidin-1-yl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-piperidin-1-yl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136735481
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name2-piperidin-1-yl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCOc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c(OC)c1OC
InChIInChI=1S/C24H34N4O4/c1-30-20-10-9-18(22(31-2)23(20)32-3)16-27-11-7-8-17(15-27)19-14-21(29)26-24(25-19)28-12-5-4-6-13-28/h9-10,14,17H,4-8,11-13,15-16H2,1-3H3,(H,25,26,29)/t17-/m0/s1
InChIKeyWVEGMWQZIWMNQN-KRWDZBQOSA-N
XLogP3.17
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-piperidin-1-yl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

4-[(3R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136850408
2-piperidin-1-yl-4-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 135963374
4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 136729575
2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136707369
4-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136681420
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
4-[(3R)-1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136763679
4-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136765637
2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-4-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one
CID 135933162
5-methylsulfonyl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]thiadiazole
CID 92595001
4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136765718
2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-4-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one
CID 135933159

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-piperidin-1-yl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one (CID 136735481) is 2-piperidin-1-yl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-piperidin-1-yl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-piperidin-1-yl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one is COc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c(OC)c1OC.
What is the InChIKey of 2-piperidin-1-yl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is WVEGMWQZIWMNQN-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-30-20-10-9-18(22(31-2)23(20)32-3)16-27-11-7-8-17(15-27)19-14-21(29)26-24(25-19)28-12-5-4-6-13-28/h9-10,14,17H,4-8,11-13,15-16H2,1-3H3,(H,25,26,29)/t17-/m0/s1.
What are the key properties of 2-piperidin-1-yl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
2-piperidin-1-yl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 442.56 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136735481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).