5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one

C18H26N4O4 — CID 91838492

IUPAC5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C18H26N4O4/c1-12(2)15-19-11-14(16(23)20-15)18(25)21-5-3-13(4-6-21)17(24)22-7-9-26-10-8-22/h11-13H,3-10H2,1-2H3,(H,19,20,23)
InChIKeyOUBHPDURZDVLHO-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.60
Rot. Bonds3

About 5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one

5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 91838492) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID91838492
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C18H26N4O4/c1-12(2)15-19-11-14(16(23)20-15)18(25)21-5-3-13(4-6-21)17(24)22-7-9-26-10-8-22/h11-13H,3-10H2,1-2H3,(H,19,20,23)
InChIKeyOUBHPDURZDVLHO-UHFFFAOYSA-N
XLogP0.60
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-({4-[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 56901759
5-{[(3R*,5R*)-3-(hydroxymethyl)-5-(4-morpholinylmethyl)-1-piperidinyl]carbonyl}-2-methyl-4(3H)-pyrimidinone
CID 72913613
2-cyclopropyl-5-{[4-(1-piperidinylcarbonyl)-1-piperidinyl]carbonyl}-4(3H)-pyrimidinone
CID 56902648
2-cyclopropyl-5-{[2-(4-morpholinylmethyl)-1-piperidinyl]carbonyl}-4(3H)-pyrimidinone
CID 70717670
2-Cyclopropyl-5-{[4-(morpholin-4-ylcarbonyl)piperidin-1-yl]carbonyl}pyrimidin-4-ol
CID 70728008
4-hydroxy-2-methyl-N-[1-(morpholin-4-ylcarbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 72909134
2-cyclopropyl-5-[(2R)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 96368753
2-cyclopropyl-5-[(2S)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 96368755
2-(methylthio)-5-{[4-(morpholin-4-ylcarbonyl)piperidin-1-yl]carbonyl}pyrimidin-4(3H)-one
CID 118765887
5-[(3S,5S)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 133117649
2-methyl-5-[(4-methyl-1-oxa-4,9-diazaspiro[5.5]undec-9-yl)carbonyl]-4(3H)-pyrimidinone
CID 138380084
N-[(4-{[1-(cyclopropylmethyl)-4-piperidinyl]methyl}-5-oxo-2-morpholinyl)methyl]-2-methyl-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide
CID 154565634

Frequently Asked Questions

What is the IUPAC name of 5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 91838492) is 5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1ncc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)c(=O)[nH]1.
What is the InChIKey of 5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is OUBHPDURZDVLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-12(2)15-19-11-14(16(23)20-15)18(25)21-5-3-13(4-6-21)17(24)22-7-9-26-10-8-22/h11-13H,3-10H2,1-2H3,(H,19,20,23).
What are the key properties of 5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 362.43 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 91838492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).