4-[(4-methylpiperidin-1-yl)methyl]-2-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1H-pyrimidin-6-one

C24H41N5O2 — CID 137248440

IUPAC4-[(4-methylpiperidin-1-yl)methyl]-2-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCC1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)CC(C)CC(C)(C)C)CC3)n2)CC1
InChIInChI=1S/C24H41N5O2/c1-18-6-8-27(9-7-18)17-20-15-21(30)26-23(25-20)29-12-10-28(11-13-29)22(31)14-19(2)16-24(3,4)5/h15,18-19H,6-14,16-17H2,1-5H3,(H,25,26,30)
InChIKeyVAHGSTLVNSVFMJ-UHFFFAOYSA-N
MW431.63 g/mol
LogP3.11
Rot. Bonds6

About 4-[(4-methylpiperidin-1-yl)methyl]-2-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1H-pyrimidin-6-one

4-[(4-methylpiperidin-1-yl)methyl]-2-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137248440) has the molecular formula C24H41N5O2 and a molecular weight of 431.63 g/mol. Its IUPAC name is 4-[(4-methylpiperidin-1-yl)methyl]-2-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-methylpiperidin-1-yl)methyl]-2-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID137248440
Molecular FormulaC24H41N5O2
Molecular Weight431.63 g/mol
Exact Mass431.33
IUPAC Name4-[(4-methylpiperidin-1-yl)methyl]-2-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCC1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)CC(C)CC(C)(C)C)CC3)n2)CC1
InChIInChI=1S/C24H41N5O2/c1-18-6-8-27(9-7-18)17-20-15-21(30)26-23(25-20)29-12-10-28(11-13-29)22(31)14-19(2)16-24(3,4)5/h15,18-19H,6-14,16-17H2,1-5H3,(H,25,26,30)
InChIKeyVAHGSTLVNSVFMJ-UHFFFAOYSA-N
XLogP3.11
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.63
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4-methylpiperidin-1-yl)methyl]-2-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

2-amino-6-{4-[(1-isopropyl-4-piperidinyl)acetyl]-1-piperazinyl}-4(3H)-pyrimidinone
CID 136226567
4-methyl-2-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136761450
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137154125
2,2,4-trimethyl-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexanamide
CID 136149122
8-[(2-Amino-6-oxo-1,6-dihydropyrimidin-4-yl)acetyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 136232329
6-[[2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
CID 70774157
6-[(4-Methylpiperidin-1-YL)methyl]-2-(4-octanoylpiperazin-1-YL)-3,4-dihydropyrimidin-4-one
CID 135933238
2-(4-hexanoylpiperazin-1-yl)-4-[(4-methylpiperidin-1-yl)methyl]-1H-pyrimidin-6-one
CID 135933239
2-[4-(cyclohexylcarbonyl)piperazino]-6-{[4-(2-methoxyethyl)piperazino]methyl}-4(3H)-pyrimidinone
CID 135933400
6-[(4-Cyclohexylpiperazin-1-YL)methyl]-2-(4-cyclopentanecarbonyl-1,4-diazepan-1-YL)-3,4-dihydropyrimidin-4-one
CID 135933405
N-[(1R)-2-methyl-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]propyl]cyclohexanecarboxamide
CID 135963260
N-[(1S)-2-methyl-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]propyl]cyclohexanecarboxamide
CID 135963261

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperidin-1-yl)methyl]-2-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-methylpiperidin-1-yl)methyl]-2-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 137248440) is 4-[(4-methylpiperidin-1-yl)methyl]-2-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-methylpiperidin-1-yl)methyl]-2-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-methylpiperidin-1-yl)methyl]-2-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1H-pyrimidin-6-one is CC1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)CC(C)CC(C)(C)C)CC3)n2)CC1.
What is the InChIKey of 4-[(4-methylpiperidin-1-yl)methyl]-2-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is VAHGSTLVNSVFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O2/c1-18-6-8-27(9-7-18)17-20-15-21(30)26-23(25-20)29-12-10-28(11-13-29)22(31)14-19(2)16-24(3,4)5/h15,18-19H,6-14,16-17H2,1-5H3,(H,25,26,30).
What are the key properties of 4-[(4-methylpiperidin-1-yl)methyl]-2-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1H-pyrimidin-6-one?
4-[(4-methylpiperidin-1-yl)methyl]-2-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 431.63 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperidin-1-yl)methyl]-2-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137248440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).