4-methyl-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-morpholin-4-yl-1H-pyrimidin-6-one

C18H28N4O3 — CID 135667510

IUPAC4-methyl-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCCC(C)C1
InChIInChI=1S/C18H28N4O3/c1-13-4-3-7-22(12-13)16(23)6-5-15-14(2)19-18(20-17(15)24)21-8-10-25-11-9-21/h13H,3-12H2,1-2H3,(H,19,20,24)
InChIKeyBEZYTHLRGKYZME-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.11
Rot. Bonds4

About 4-methyl-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-morpholin-4-yl-1H-pyrimidin-6-one

4-methyl-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 135667510) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-methyl-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID135667510
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name4-methyl-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCCC(C)C1
InChIInChI=1S/C18H28N4O3/c1-13-4-3-7-22(12-13)16(23)6-5-15-14(2)19-18(20-17(15)24)21-8-10-25-11-9-21/h13H,3-12H2,1-2H3,(H,19,20,24)
InChIKeyBEZYTHLRGKYZME-UHFFFAOYSA-N
XLogP1.11
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-morpholin-4-yl-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 137288209
5-[3-[(4R)-4-ethylazepan-1-yl]-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136679122
4-methyl-2-morpholin-4-yl-5-[3-oxo-3-[(3S)-3-phenylpyrrolidin-1-yl]propyl]-1H-pyrimidin-6-one
CID 137232151
1-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]piperidine-2-carboxylic acid
CID 136948097
N-cyclopentyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137302255
N-cyclohexyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137278239
4-methyl-2-morpholin-4-yl-5-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-pyrimidin-6-one
CID 135903795
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 78791717
2-methyl-2-[methyl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid
CID 136990446
4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one
CID 135462710
2,4-dimethyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 135933971
N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-phenylpropanamide
CID 135877201

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-morpholin-4-yl-1H-pyrimidin-6-one (CID 135667510) is 4-methyl-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-morpholin-4-yl-1H-pyrimidin-6-one is Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCCC(C)C1.
What is the InChIKey of 4-methyl-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is BEZYTHLRGKYZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13-4-3-7-22(12-13)16(23)6-5-15-14(2)19-18(20-17(15)24)21-8-10-25-11-9-21/h13H,3-12H2,1-2H3,(H,19,20,24).
What are the key properties of 4-methyl-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-morpholin-4-yl-1H-pyrimidin-6-one?
4-methyl-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 348.45 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135667510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).