6-cyclopropyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one

C19H29N3O2 — CID 126941867

IUPAC6-cyclopropyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(C2CC2)ncn1CC1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C19H29N3O2/c23-19-11-18(16-4-5-16)20-14-22(19)12-15-6-8-21(9-7-15)13-17-3-1-2-10-24-17/h11,14-17H,1-10,12-13H2
InChIKeyPTRZQEHAQFIMLY-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.40
Rot. Bonds5

About 6-cyclopropyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one

6-cyclopropyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941867) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 6-cyclopropyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941867
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name6-cyclopropyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(C2CC2)ncn1CC1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C19H29N3O2/c23-19-11-18(16-4-5-16)20-14-22(19)12-15-6-8-21(9-7-15)13-17-3-1-2-10-24-17/h11,14-17H,1-10,12-13H2
InChIKeyPTRZQEHAQFIMLY-UHFFFAOYSA-N
XLogP2.40
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941866
3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944997
6-cyclopropyl-3-[[1-[(1-hydroxycyclobutyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941926
6-cyclopropyl-3-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941670
6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941650
6-cyclopropyl-3-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941931
5-methyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126940921
N-cycloheptyl-4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
CID 126941551
6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941774
6-cyclopropyl-3-[[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941807
6-cyclopropyl-3-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941673
6-cyclopropyl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941804

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941867) is 6-cyclopropyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one is O=c1cc(C2CC2)ncn1CC1CCN(CC2CCCCO2)CC1.
What is the InChIKey of 6-cyclopropyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is PTRZQEHAQFIMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-19-11-18(16-4-5-16)20-14-22(19)12-15-6-8-21(9-7-15)13-17-3-1-2-10-24-17/h11,14-17H,1-10,12-13H2.
What are the key properties of 6-cyclopropyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-cyclopropyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 331.46 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).