4-[1-[(3-propoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one

C19H25N3O2 — CID 135892902

IUPAC4-[1-[(3-propoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCCCOc1cccc(CN2CCCC(c3cc(=O)[nH]cn3)C2)c1
InChIInChI=1S/C19H25N3O2/c1-2-9-24-17-7-3-5-15(10-17)12-22-8-4-6-16(13-22)18-11-19(23)21-14-20-18/h3,5,7,10-11,14,16H,2,4,6,8-9,12-13H2,1H3,(H,20,21,23)
InChIKeyWMBAXXXNBAHDDL-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.94
Rot. Bonds6

About 4-[1-[(3-propoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one

4-[1-[(3-propoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 135892902) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[1-[(3-propoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-[(3-propoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
PubChem CID135892902
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-[1-[(3-propoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCCCOc1cccc(CN2CCCC(c3cc(=O)[nH]cn3)C2)c1
InChIInChI=1S/C19H25N3O2/c1-2-9-24-17-7-3-5-15(10-17)12-22-8-4-6-16(13-22)18-11-19(23)21-14-20-18/h3,5,7,10-11,14,16H,2,4,6,8-9,12-13H2,1H3,(H,20,21,23)
InChIKeyWMBAXXXNBAHDDL-UHFFFAOYSA-N
XLogP2.94
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[[3-(6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile
CID 137196543
4-[1-(dibenzothiophen-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 137205363
2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136850333
1-[[3-(3-methylbutoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 4016440
1-methyl-4-[(3-propoxyphenyl)methyl]piperazine
CID 70470634
[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol
CID 54794443
1-[(3-propoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056024
3-[(3R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzoic acid
CID 97197480
1-[(3-heptoxyphenyl)methyl]piperidine-3-carbohydrazide
CID 54848441
4-[(3S)-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136801295
4-[(3S)-1-[(4-ethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136673564
2-[[3-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]methyl]pyridine
CID 99960236

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-propoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-[(3-propoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one (CID 135892902) is 4-[1-[(3-propoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-[(3-propoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-[(3-propoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one is CCCOc1cccc(CN2CCCC(c3cc(=O)[nH]cn3)C2)c1.
What is the InChIKey of 4-[1-[(3-propoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is WMBAXXXNBAHDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-9-24-17-7-3-5-15(10-17)12-22-8-4-6-16(13-22)18-11-19(23)21-14-20-18/h3,5,7,10-11,14,16H,2,4,6,8-9,12-13H2,1H3,(H,20,21,23).
What are the key properties of 4-[1-[(3-propoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
4-[1-[(3-propoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 327.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-propoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135892902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).