6-phenyl-3-[[1-[(2R)-2-phenylpiperazine-1-carbonyl]piperidin-4-yl]methyl]pyrimidin-4-one

C27H31N5O2 — CID 165142283

IUPAC6-phenyl-3-[[1-[(2R)-2-phenylpiperazine-1-carbonyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C(N1CCC(Cn2cnc(-c3ccccc3)cc2=O)CC1)N1CCNC[C@H]1c1ccccc1
InChIInChI=1S/C27H31N5O2/c33-26-17-24(22-7-3-1-4-8-22)29-20-31(26)19-21-11-14-30(15-12-21)27(34)32-16-13-28-18-25(32)23-9-5-2-6-10-23/h1-10,17,20-21,25,28H,11-16,18-19H2/t25-/m0/s1
InChIKeyBETRUMHYQAQQSN-VWLOTQADSA-N
MW457.58 g/mol
LogP3.39
Rot. Bonds4

About 6-phenyl-3-[[1-[(2R)-2-phenylpiperazine-1-carbonyl]piperidin-4-yl]methyl]pyrimidin-4-one

6-phenyl-3-[[1-[(2R)-2-phenylpiperazine-1-carbonyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 165142283) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 6-phenyl-3-[[1-[(2R)-2-phenylpiperazine-1-carbonyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-phenyl-3-[[1-[(2R)-2-phenylpiperazine-1-carbonyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID165142283
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC Name6-phenyl-3-[[1-[(2R)-2-phenylpiperazine-1-carbonyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C(N1CCC(Cn2cnc(-c3ccccc3)cc2=O)CC1)N1CCNC[C@H]1c1ccccc1
InChIInChI=1S/C27H31N5O2/c33-26-17-24(22-7-3-1-4-8-22)29-20-31(26)19-21-11-14-30(15-12-21)27(34)32-16-13-28-18-25(32)23-9-5-2-6-10-23/h1-10,17,20-21,25,28H,11-16,18-19H2/t25-/m0/s1
InChIKeyBETRUMHYQAQQSN-VWLOTQADSA-N
XLogP3.39
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-phenyl-3-[[1-[(2R)-2-phenylpiperazine-1-carbonyl]piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 139370033
3-[[7-[(2R)-2-(3,5-difluorophenyl)piperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 165141762
3-[[(10S)-7-[2-(3,4-difluorophenyl)piperazine-1-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 146627507
tert-butyl 4-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]piperidine-1-carboxylate
CID 165142189
6-(1,3-dihydro-2-benzofuran-5-yl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one
CID 146670914
3-[[(10S)-10-hydroxy-7-(2-thiophen-2-ylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 146670925
1-[10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidine-4-carboxylic acid
CID 175786560
3-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-thiophen-2-ylpyrimidin-4-one
CID 146627488
6-(2,3-dihydro-1-benzofuran-6-yl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one
CID 146627530
morpholin-4-yl-(2-phenylpiperazin-1-yl)methanone
CID 128846745
6-(4-fluorocyclohexyl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one
CID 162711665
2-[methyl-[(2S,4R)-1-[(10R)-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidin-4-yl]amino]acetic acid
CID 175786694

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-[[1-[(2R)-2-phenylpiperazine-1-carbonyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-phenyl-3-[[1-[(2R)-2-phenylpiperazine-1-carbonyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 165142283) is 6-phenyl-3-[[1-[(2R)-2-phenylpiperazine-1-carbonyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-phenyl-3-[[1-[(2R)-2-phenylpiperazine-1-carbonyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-phenyl-3-[[1-[(2R)-2-phenylpiperazine-1-carbonyl]piperidin-4-yl]methyl]pyrimidin-4-one is O=C(N1CCC(Cn2cnc(-c3ccccc3)cc2=O)CC1)N1CCNC[C@H]1c1ccccc1.
What is the InChIKey of 6-phenyl-3-[[1-[(2R)-2-phenylpiperazine-1-carbonyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is BETRUMHYQAQQSN-VWLOTQADSA-N. The full InChI is InChI=1S/C27H31N5O2/c33-26-17-24(22-7-3-1-4-8-22)29-20-31(26)19-21-11-14-30(15-12-21)27(34)32-16-13-28-18-25(32)23-9-5-2-6-10-23/h1-10,17,20-21,25,28H,11-16,18-19H2/t25-/m0/s1.
What are the key properties of 6-phenyl-3-[[1-[(2R)-2-phenylpiperazine-1-carbonyl]piperidin-4-yl]methyl]pyrimidin-4-one?
6-phenyl-3-[[1-[(2R)-2-phenylpiperazine-1-carbonyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 457.58 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-[[1-[(2R)-2-phenylpiperazine-1-carbonyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 165142283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).