5-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione

C24H33N5O4 — CID 46324194

IUPAC5-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione
SMILESCOc1ccccc1N1CCN(C(=O)C2CCN(c3c(C)n(C)c(=O)n(C)c3=O)CC2)CC1
InChIInChI=1S/C24H33N5O4/c1-17-21(23(31)26(3)24(32)25(17)2)28-11-9-18(10-12-28)22(30)29-15-13-27(14-16-29)19-7-5-6-8-20(19)33-4/h5-8,18H,9-16H2,1-4H3
InChIKeyNBBBWQVACTYSDH-UHFFFAOYSA-N
MW455.56 g/mol
LogP0.97
Rot. Bonds4

About 5-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione

5-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione (PubChem CID 46324194) has the molecular formula C24H33N5O4 and a molecular weight of 455.56 g/mol. Its IUPAC name is 5-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione
PubChem CID46324194
Molecular FormulaC24H33N5O4
Molecular Weight455.56 g/mol
Exact Mass455.25
IUPAC Name5-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione
SMILESCOc1ccccc1N1CCN(C(=O)C2CCN(c3c(C)n(C)c(=O)n(C)c3=O)CC2)CC1
InChIInChI=1S/C24H33N5O4/c1-17-21(23(31)26(3)24(32)25(17)2)28-11-9-18(10-12-28)22(30)29-15-13-27(14-16-29)19-7-5-6-8-20(19)33-4/h5-8,18H,9-16H2,1-4H3
InChIKeyNBBBWQVACTYSDH-UHFFFAOYSA-N
XLogP0.97
TPSA80.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 56922329
tert-butyl 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 9034002
6-[(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 95086057
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methoxyquinoxalin-2-yl)piperidin-4-yl]methanone
CID 46367940
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 26534447
[4-(2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119826511
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053707
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 84556273
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone
CID 71839299
azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 109139041
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 109134181

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione (CID 46324194) is 5-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione is COc1ccccc1N1CCN(C(=O)C2CCN(c3c(C)n(C)c(=O)n(C)c3=O)CC2)CC1.
What is the InChIKey of 5-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione?
The InChIKey is NBBBWQVACTYSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4/c1-17-21(23(31)26(3)24(32)25(17)2)28-11-9-18(10-12-28)22(30)29-15-13-27(14-16-29)19-7-5-6-8-20(19)33-4/h5-8,18H,9-16H2,1-4H3.
What are the key properties of 5-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione?
5-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione has a molecular weight of 455.56 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione is sourced from PubChem (CID 46324194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).