1-[2-[1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one

C23H28N4O2 — CID 72939622

IUPAC1-[2-[1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESCc1nc(-c2ccccc2)ncc1C(=O)N1CCC(CCN2CCCC2=O)CC1
InChIInChI=1S/C23H28N4O2/c1-17-20(16-24-22(25-17)19-6-3-2-4-7-19)23(29)27-14-10-18(11-15-27)9-13-26-12-5-8-21(26)28/h2-4,6-7,16,18H,5,8-15H2,1H3
InChIKeyCDWOFPCTZVFJDX-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.32
Rot. Bonds5

About 1-[2-[1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one

1-[2-[1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one (PubChem CID 72939622) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[2-[1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
PubChem CID72939622
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-[2-[1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESCc1nc(-c2ccccc2)ncc1C(=O)N1CCC(CCN2CCCC2=O)CC1
InChIInChI=1S/C23H28N4O2/c1-17-20(16-24-22(25-17)19-6-3-2-4-7-19)23(29)27-14-10-18(11-15-27)9-13-26-12-5-8-21(26)28/h2-4,6-7,16,18H,5,8-15H2,1H3
InChIKeyCDWOFPCTZVFJDX-UHFFFAOYSA-N
XLogP3.32
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 72901999
1-(4-methyl-2-phenylpyrimidine-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one
CID 136567066
(4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856145
(4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone
CID 119062800
(4-methyl-2-phenylpyrimidin-5-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 119070432
(4-benzhydrylpiperazin-1-yl)-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 100753052
N-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide
CID 97117572
[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 99635559
formic acid;5-[[1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid
CID 171330305
6-methyl-2-oxo-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile
CID 70747234
(3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 70767205
(3S,4S)-4-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide
CID 128984238

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one (CID 72939622) is 1-[2-[1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one is Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC(CCN2CCCC2=O)CC1.
What is the InChIKey of 1-[2-[1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The InChIKey is CDWOFPCTZVFJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17-20(16-24-22(25-17)19-6-3-2-4-7-19)23(29)27-14-10-18(11-15-27)9-13-26-12-5-8-21(26)28/h2-4,6-7,16,18H,5,8-15H2,1H3.
What are the key properties of 1-[2-[1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one has a molecular weight of 392.50 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 72939622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).