4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one

C20H30N4O2 — CID 136881811

IUPAC4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CCN(c2nc(C3CC(=O)N(C4CCCCC4)C3)cc(=O)[nH]2)CC1
InChIInChI=1S/C20H30N4O2/c1-14-7-9-23(10-8-14)20-21-17(12-18(25)22-20)15-11-19(26)24(13-15)16-5-3-2-4-6-16/h12,14-16H,2-11,13H2,1H3,(H,21,22,25)
InChIKeyVNMPDCRKEDUPIA-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.65
Rot. Bonds3

About 4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one

4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136881811) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136881811
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CCN(c2nc(C3CC(=O)N(C4CCCCC4)C3)cc(=O)[nH]2)CC1
InChIInChI=1S/C20H30N4O2/c1-14-7-9-23(10-8-14)20-21-17(12-18(25)22-20)15-11-19(26)24(13-15)16-5-3-2-4-6-16/h12,14-16H,2-11,13H2,1H3,(H,21,22,25)
InChIKeyVNMPDCRKEDUPIA-UHFFFAOYSA-N
XLogP2.65
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136881811) is 4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one is CC1CCN(c2nc(C3CC(=O)N(C4CCCCC4)C3)cc(=O)[nH]2)CC1.
What is the InChIKey of 4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is VNMPDCRKEDUPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-14-7-9-23(10-8-14)20-21-17(12-18(25)22-20)15-11-19(26)24(13-15)16-5-3-2-4-6-16/h12,14-16H,2-11,13H2,1H3,(H,21,22,25).
What are the key properties of 4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 358.49 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136881811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).