1,3-dimethyl-6-[[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]methyl]pyrimidine-2,4-dione

C23H31N3O3 — CID 55703742

IUPAC1,3-dimethyl-6-[[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]methyl]pyrimidine-2,4-dione
SMILESCC(C)Cc1ccc(C(=O)C2CCN(Cc3cc(=O)n(C)c(=O)n3C)CC2)cc1
InChIInChI=1S/C23H31N3O3/c1-16(2)13-17-5-7-18(8-6-17)22(28)19-9-11-26(12-10-19)15-20-14-21(27)25(4)23(29)24(20)3/h5-8,14,16,19H,9-13,15H2,1-4H3
InChIKeyISVVNGIOWQIURU-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.38
Rot. Bonds6

About 1,3-dimethyl-6-[[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]methyl]pyrimidine-2,4-dione (PubChem CID 55703742) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]methyl]pyrimidine-2,4-dione
PubChem CID55703742
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name1,3-dimethyl-6-[[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]methyl]pyrimidine-2,4-dione
SMILESCC(C)Cc1ccc(C(=O)C2CCN(Cc3cc(=O)n(C)c(=O)n3C)CC2)cc1
InChIInChI=1S/C23H31N3O3/c1-16(2)13-17-5-7-18(8-6-17)22(28)19-9-11-26(12-10-19)15-20-14-21(27)25(4)23(29)24(20)3/h5-8,14,16,19H,9-13,15H2,1-4H3
InChIKeyISVVNGIOWQIURU-UHFFFAOYSA-N
XLogP2.38
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-6-[[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]methyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 26045062
2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetonitrile
CID 60500740
2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 112841566
N-(methylcarbamoyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
CID 55850203
N-[(2S)-1-methoxypropan-2-yl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
CID 51946728
[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 112826249
[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55703317
[4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone
CID 62906178
2-amino-3-methyl-1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pentan-1-one
CID 119734570
6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
CID 119909687
[1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55707739
[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 120623759

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]methyl]pyrimidine-2,4-dione (CID 55703742) is 1,3-dimethyl-6-[[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]methyl]pyrimidine-2,4-dione is CC(C)Cc1ccc(C(=O)C2CCN(Cc3cc(=O)n(C)c(=O)n3C)CC2)cc1.
What is the InChIKey of 1,3-dimethyl-6-[[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is ISVVNGIOWQIURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-16(2)13-17-5-7-18(8-6-17)22(28)19-9-11-26(12-10-19)15-20-14-21(27)25(4)23(29)24(20)3/h5-8,14,16,19H,9-13,15H2,1-4H3.
What are the key properties of 1,3-dimethyl-6-[[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 397.52 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 55703742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).