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

C23H31N5O4 — CID 95086057

IUPAC6-[(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3C)C2)CC1
InChIInChI=1S/C23H31N5O4/c1-24-20(15-21(29)25(2)23(24)31)28-10-6-7-17(16-28)22(30)27-13-11-26(12-14-27)18-8-4-5-9-19(18)32-3/h4-5,8-9,15,17H,6-7,10-14,16H2,1-3H3/t17-/m1/s1
InChIKeyAOIFSXMPMYCYGA-QGZVFWFLSA-N
MW441.53 g/mol
LogP0.66
Rot. Bonds4

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

6-[(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 95086057) has the molecular formula C23H31N5O4 and a molecular weight of 441.53 g/mol. Its IUPAC name is 6-[(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID95086057
Molecular FormulaC23H31N5O4
Molecular Weight441.53 g/mol
Exact Mass441.24
IUPAC Name6-[(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3C)C2)CC1
InChIInChI=1S/C23H31N5O4/c1-24-20(15-21(29)25(2)23(24)31)28-10-6-7-17(16-28)22(30)27-13-11-26(12-14-27)18-8-4-5-9-19(18)32-3/h4-5,8-9,15,17H,6-7,10-14,16H2,1-3H3/t17-/m1/s1
InChIKeyAOIFSXMPMYCYGA-QGZVFWFLSA-N
XLogP0.66
TPSA80.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-[(3R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 95086059
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 43920554
[4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124785355
5-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione
CID 46324194
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide
CID 53107443
(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]piperidine-3-carboxamide
CID 95086109
[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 26687371
[4-(2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119826511
[4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 1030634
cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 24719059
azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 109139041

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione (CID 95086057) is 6-[(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione is COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3C)C2)CC1.
What is the InChIKey of 6-[(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is AOIFSXMPMYCYGA-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H31N5O4/c1-24-20(15-21(29)25(2)23(24)31)28-10-6-7-17(16-28)22(30)27-13-11-26(12-14-27)18-8-4-5-9-19(18)32-3/h4-5,8-9,15,17H,6-7,10-14,16H2,1-3H3/t17-/m1/s1.
What are the key properties of 6-[(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 441.53 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 95086057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).