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

C22H28FN5O3 — CID 95086059

IUPAC6-[(3R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N2CCC[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C22H28FN5O3/c1-24-19(14-20(29)25(2)22(24)31)28-9-5-6-16(15-28)21(30)27-12-10-26(11-13-27)18-8-4-3-7-17(18)23/h3-4,7-8,14,16H,5-6,9-13,15H2,1-2H3/t16-/m1/s1
InChIKeyOENMIIRHBHIWMK-MRXNPFEDSA-N
MW429.50 g/mol
LogP0.79
Rot. Bonds3

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

6-[(3R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 95086059) has the molecular formula C22H28FN5O3 and a molecular weight of 429.50 g/mol. Its IUPAC name is 6-[(3R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID95086059
Molecular FormulaC22H28FN5O3
Molecular Weight429.50 g/mol
Exact Mass429.22
IUPAC Name6-[(3R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N2CCC[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C22H28FN5O3/c1-24-19(14-20(29)25(2)22(24)31)28-9-5-6-16(15-28)21(30)27-12-10-26(11-13-27)18-8-4-3-7-17(18)23/h3-4,7-8,14,16H,5-6,9-13,15H2,1-2H3/t16-/m1/s1
InChIKeyOENMIIRHBHIWMK-MRXNPFEDSA-N
XLogP0.79
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[(3R)-3-[4-(2-fluorophenyl)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-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 95086057
(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]piperidine-3-carboxamide
CID 95086109
1,3-dimethyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
CID 93070846
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118403
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide
CID 53107443
2,2,2-trifluoro-1-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110344243
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
[4-(2-fluorophenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
CID 50839504
1-ethyl-3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
CID 93070816
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 90600961
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 109144516
[4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 25348569

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(3R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione (CID 95086059) is 6-[(3R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(3R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N2CCC[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)C2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[(3R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is OENMIIRHBHIWMK-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H28FN5O3/c1-24-19(14-20(29)25(2)22(24)31)28-9-5-6-16(15-28)21(30)27-12-10-26(11-13-27)18-8-4-3-7-17(18)23/h3-4,7-8,14,16H,5-6,9-13,15H2,1-2H3/t16-/m1/s1.
What are the key properties of 6-[(3R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(3R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 429.50 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 95086059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).