4-[1-[[(4R)-2,2-dimethyloxan-4-yl]methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one

C18H29N3O2 — CID 136706401

IUPAC4-[1-[[(4R)-2,2-dimethyloxan-4-yl]methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(C[C@@H]3CCOC(C)(C)C3)CC2)cc(=O)[nH]1
InChIInChI=1S/C18H29N3O2/c1-13-19-16(10-17(22)20-13)15-4-7-21(8-5-15)12-14-6-9-23-18(2,3)11-14/h10,14-15H,4-9,11-12H2,1-3H3,(H,19,20,22)/t14-/m1/s1
InChIKeyQYQRQNRAPGCYSH-CQSZACIVSA-N
MW319.45 g/mol
LogP2.46
Rot. Bonds3

About 4-[1-[[(4R)-2,2-dimethyloxan-4-yl]methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one

4-[1-[[(4R)-2,2-dimethyloxan-4-yl]methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136706401) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-[1-[[(4R)-2,2-dimethyloxan-4-yl]methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-[[(4R)-2,2-dimethyloxan-4-yl]methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136706401
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name4-[1-[[(4R)-2,2-dimethyloxan-4-yl]methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(C[C@@H]3CCOC(C)(C)C3)CC2)cc(=O)[nH]1
InChIInChI=1S/C18H29N3O2/c1-13-19-16(10-17(22)20-13)15-4-7-21(8-5-15)12-14-6-9-23-18(2,3)11-14/h10,14-15H,4-9,11-12H2,1-3H3,(H,19,20,22)/t14-/m1/s1
InChIKeyQYQRQNRAPGCYSH-CQSZACIVSA-N
XLogP2.46
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-[[(4R)-2,2-dimethyloxan-4-yl]methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-{1-[(2,2-dimethyltetrahydro-2H-pyran-4-yl)methyl]-4-piperidinyl}-2-methyl-4-pyrimidinol
CID 136112847
2-methyl-6-{1-[(tetrahydro-2H-pyran-2-ylmethoxy)acetyl]-4-piperidinyl}-4-pyrimidinol
CID 136227393
6-[2-(1,9-Dioxaspiro[5.5]undec-4-ylamino)ethyl]-2-methylpyrimidin-4-ol
CID 136233971
4-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 136248646
4-[1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706402
4-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 136715630
2-methyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136748632
2-methyl-4-[1-[2-[[(2R)-oxan-2-yl]methoxy]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136748633
4-[2-[[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one
CID 136799304
4-[2-[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one
CID 136799305
4-[1-[(4-hydroxyoxan-4-yl)methyl]-4-methylpiperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 137166510
6-{1-[2-(1,4-Dioxan-2-yl)ethyl]-4-piperidinyl}-2-methyl-4-pyrimidinol
CID 139599068

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[(4R)-2,2-dimethyloxan-4-yl]methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-[[(4R)-2,2-dimethyloxan-4-yl]methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one (CID 136706401) is 4-[1-[[(4R)-2,2-dimethyloxan-4-yl]methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-[[(4R)-2,2-dimethyloxan-4-yl]methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-[[(4R)-2,2-dimethyloxan-4-yl]methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(C2CCN(C[C@@H]3CCOC(C)(C)C3)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[1-[[(4R)-2,2-dimethyloxan-4-yl]methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is QYQRQNRAPGCYSH-CQSZACIVSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-13-19-16(10-17(22)20-13)15-4-7-21(8-5-15)12-14-6-9-23-18(2,3)11-14/h10,14-15H,4-9,11-12H2,1-3H3,(H,19,20,22)/t14-/m1/s1.
What are the key properties of 4-[1-[[(4R)-2,2-dimethyloxan-4-yl]methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
4-[1-[[(4R)-2,2-dimethyloxan-4-yl]methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 319.45 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[(4R)-2,2-dimethyloxan-4-yl]methyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136706401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).