4-[1-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one

C21H28N4O2 — CID 136822759

IUPAC4-[1-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1cccc([C@H](C(=O)N2CCC(c3cc(=O)[nH]c(C)n3)CC2)N(C)C)c1
InChIInChI=1S/C21H28N4O2/c1-14-6-5-7-17(12-14)20(24(3)4)21(27)25-10-8-16(9-11-25)18-13-19(26)23-15(2)22-18/h5-7,12-13,16,20H,8-11H2,1-4H3,(H,22,23,26)/t20-/m1/s1
InChIKeyMXAMBOMXKCUYQV-HXUWFJFHSA-N
MW368.48 g/mol
LogP2.40
Rot. Bonds4

About 4-[1-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one

4-[1-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136822759) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-[1-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136822759
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name4-[1-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1cccc([C@H](C(=O)N2CCC(c3cc(=O)[nH]c(C)n3)CC2)N(C)C)c1
InChIInChI=1S/C21H28N4O2/c1-14-6-5-7-17(12-14)20(24(3)4)21(27)25-10-8-16(9-11-25)18-13-19(26)23-15(2)22-18/h5-7,12-13,16,20H,8-11H2,1-4H3,(H,22,23,26)/t20-/m1/s1
InChIKeyMXAMBOMXKCUYQV-HXUWFJFHSA-N
XLogP2.40
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide
CID 97116910
2-(dimethylamino)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 72881733
2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 72849565
4-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 95123507
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone
CID 95719715
2-methyl-4-[1-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136845342
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 97193821
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 97153883
N-(4-methoxyphenyl)-4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136988407
2-methyl-4-[1-(2-methyl-1-benzothiophene-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 155505565
2-methyl-4-[1-[3-(1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 135890725
2-methyl-4-[(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136804333

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one (CID 136822759) is 4-[1-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one is Cc1cccc([C@H](C(=O)N2CCC(c3cc(=O)[nH]c(C)n3)CC2)N(C)C)c1.
What is the InChIKey of 4-[1-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is MXAMBOMXKCUYQV-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14-6-5-7-17(12-14)20(24(3)4)21(27)25-10-8-16(9-11-25)18-13-19(26)23-15(2)22-18/h5-7,12-13,16,20H,8-11H2,1-4H3,(H,22,23,26)/t20-/m1/s1.
What are the key properties of 4-[1-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
4-[1-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 368.48 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136822759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).