6-cyclopropyl-3-[[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

C20H31N3O2 — CID 126941970

IUPAC6-cyclopropyl-3-[[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(C2CC2)ncn1CC1CCN(CC2(O)CCCCC2)CC1
InChIInChI=1S/C20H31N3O2/c24-19-12-18(17-4-5-17)21-15-23(19)13-16-6-10-22(11-7-16)14-20(25)8-2-1-3-9-20/h12,15-17,25H,1-11,13-14H2
InChIKeyUBDGEGOIXUXVGU-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.53
Rot. Bonds5

About 6-cyclopropyl-3-[[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

6-cyclopropyl-3-[[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941970) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 6-cyclopropyl-3-[[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941970
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name6-cyclopropyl-3-[[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(C2CC2)ncn1CC1CCN(CC2(O)CCCCC2)CC1
InChIInChI=1S/C20H31N3O2/c24-19-12-18(17-4-5-17)21-15-23(19)13-16-6-10-22(11-7-16)14-20(25)8-2-1-3-9-20/h12,15-17,25H,1-11,13-14H2
InChIKeyUBDGEGOIXUXVGU-UHFFFAOYSA-N
XLogP2.53
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941970) is 6-cyclopropyl-3-[[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is O=c1cc(C2CC2)ncn1CC1CCN(CC2(O)CCCCC2)CC1.
What is the InChIKey of 6-cyclopropyl-3-[[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is UBDGEGOIXUXVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c24-19-12-18(17-4-5-17)21-15-23(19)13-16-6-10-22(11-7-16)14-20(25)8-2-1-3-9-20/h12,15-17,25H,1-11,13-14H2.
What are the key properties of 6-cyclopropyl-3-[[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
6-cyclopropyl-3-[[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 345.49 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).