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

C23H30FN5O3 — CID 46381369

IUPAC1-ethyl-6-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-methylpyrimidine-2,4-dione
SMILESCCn1c(N2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C23H30FN5O3/c1-3-29-20(16-21(30)25(2)23(29)32)27-10-8-17(9-11-27)22(31)28-14-12-26(13-15-28)19-6-4-18(24)5-7-19/h4-7,16-17H,3,8-15H2,1-2H3
InChIKeyGVAVPUHXONOVMB-UHFFFAOYSA-N
MW443.52 g/mol
LogP1.27
Rot. Bonds4

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

1-ethyl-6-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-methylpyrimidine-2,4-dione (PubChem CID 46381369) has the molecular formula C23H30FN5O3 and a molecular weight of 443.52 g/mol. Its IUPAC name is 1-ethyl-6-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-6-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-methylpyrimidine-2,4-dione
PubChem CID46381369
Molecular FormulaC23H30FN5O3
Molecular Weight443.52 g/mol
Exact Mass443.23
IUPAC Name1-ethyl-6-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-methylpyrimidine-2,4-dione
SMILESCCn1c(N2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C23H30FN5O3/c1-3-29-20(16-21(30)25(2)23(29)32)27-10-8-17(9-11-27)22(31)28-14-12-26(13-15-28)19-6-4-18(24)5-7-19/h4-7,16-17H,3,8-15H2,1-2H3
InChIKeyGVAVPUHXONOVMB-UHFFFAOYSA-N
XLogP1.27
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-6-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-ethyl-3-methyl-6-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
CID 20972443
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
1-ethyl-3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
CID 93070816
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
CID 126023047
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(2-fluorophenyl)piperidin-4-yl]methanone
CID 17152590
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 113004957
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 72839491
N-butyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109145085
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 45014849
N-(4-fluorophenyl)-2-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16809605
[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 43922406
[4-(4-fluorophenyl)piperazin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 46688999

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-6-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-methylpyrimidine-2,4-dione (CID 46381369) is 1-ethyl-6-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-6-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-6-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-methylpyrimidine-2,4-dione is CCn1c(N2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 1-ethyl-6-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-methylpyrimidine-2,4-dione?
The InChIKey is GVAVPUHXONOVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O3/c1-3-29-20(16-21(30)25(2)23(29)32)27-10-8-17(9-11-27)22(31)28-14-12-26(13-15-28)19-6-4-18(24)5-7-19/h4-7,16-17H,3,8-15H2,1-2H3.
What are the key properties of 1-ethyl-6-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-methylpyrimidine-2,4-dione?
1-ethyl-6-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-methylpyrimidine-2,4-dione has a molecular weight of 443.52 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 46381369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).