methyl 3-[4-[[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]pyrazol-1-yl]propanoate

C18H25N5O3 — CID 135990778

IUPACmethyl 3-[4-[[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]pyrazol-1-yl]propanoate
SMILESCOC(=O)CCn1cc(CN2CCC(c3cc(=O)[nH]c(C)n3)CC2)cn1
InChIInChI=1S/C18H25N5O3/c1-13-20-16(9-17(24)21-13)15-3-6-22(7-4-15)11-14-10-19-23(12-14)8-5-18(25)26-2/h9-10,12,15H,3-8,11H2,1-2H3,(H,20,21,24)
InChIKeyTTZAUGDZBYKOAF-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.22
Rot. Bonds6

About methyl 3-[4-[[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]pyrazol-1-yl]propanoate

methyl 3-[4-[[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]pyrazol-1-yl]propanoate (PubChem CID 135990778) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is methyl 3-[4-[[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]pyrazol-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]pyrazol-1-yl]propanoate
PubChem CID135990778
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Namemethyl 3-[4-[[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]pyrazol-1-yl]propanoate
SMILESCOC(=O)CCn1cc(CN2CCC(c3cc(=O)[nH]c(C)n3)CC2)cn1
InChIInChI=1S/C18H25N5O3/c1-13-20-16(9-17(24)21-13)15-3-6-22(7-4-15)11-14-10-19-23(12-14)8-5-18(25)26-2/h9-10,12,15H,3-8,11H2,1-2H3,(H,20,21,24)
InChIKeyTTZAUGDZBYKOAF-UHFFFAOYSA-N
XLogP1.22
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[4-[[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]pyrazol-1-yl]propanoate with MolForge

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Related Compounds

2-methyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 136715602
methyl 3-[4-[[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyrazol-1-yl]propanoate
CID 70750404
4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 136804053
methyl 4-[[(3R)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]thiophene-2-carboxylate
CID 136706483
methyl 3-[4-[[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]pyrazol-1-yl]propanoate
CID 72902704
4-[1-(4-methoxy-1-propylpiperidine-4-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 154567672
4-[(3S)-1-[(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136735331
2-methyl-4-[(3R)-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136763695
methyl 3-[4-[[(6S)-2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]pyrazol-1-yl]propanoate
CID 96572132
N-(4-methoxyphenyl)-4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136988407
2-methyl-4-(1-methylazetidin-3-yl)-1H-pyrimidin-6-one
CID 136697560
[4-[[4-[2-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-1-yl]methyl]phenyl] acetate
CID 136766157

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]pyrazol-1-yl]propanoate?
The IUPAC name of methyl 3-[4-[[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]pyrazol-1-yl]propanoate (CID 135990778) is methyl 3-[4-[[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]pyrazol-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-[[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]pyrazol-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-[[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]pyrazol-1-yl]propanoate is COC(=O)CCn1cc(CN2CCC(c3cc(=O)[nH]c(C)n3)CC2)cn1.
What is the InChIKey of methyl 3-[4-[[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]pyrazol-1-yl]propanoate?
The InChIKey is TTZAUGDZBYKOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-13-20-16(9-17(24)21-13)15-3-6-22(7-4-15)11-14-10-19-23(12-14)8-5-18(25)26-2/h9-10,12,15H,3-8,11H2,1-2H3,(H,20,21,24).
What are the key properties of methyl 3-[4-[[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]pyrazol-1-yl]propanoate?
methyl 3-[4-[[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]pyrazol-1-yl]propanoate has a molecular weight of 359.43 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]pyrazol-1-yl]propanoate is sourced from PubChem (CID 135990778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).