1-ethyl-3-[(3R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one

C26H30FN5O2 — CID 30451481

IUPAC1-ethyl-3-[(3R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
SMILESCCn1c(=O)c(N2CCC[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)nc2ccccc21
InChIInChI=1S/C26H30FN5O2/c1-2-32-23-8-4-3-7-22(23)28-24(26(32)34)31-13-5-6-19(18-31)25(33)30-16-14-29(15-17-30)21-11-9-20(27)10-12-21/h3-4,7-12,19H,2,5-6,13-18H2,1H3/t19-/m1/s1
InChIKeyUNVJMXDWDHYVJV-LJQANCHMSA-N
MW463.56 g/mol
LogP3.12
Rot. Bonds4

About 1-ethyl-3-[(3R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one

1-ethyl-3-[(3R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one (PubChem CID 30451481) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is 1-ethyl-3-[(3R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(3R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
PubChem CID30451481
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC Name1-ethyl-3-[(3R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
SMILESCCn1c(=O)c(N2CCC[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)nc2ccccc21
InChIInChI=1S/C26H30FN5O2/c1-2-32-23-8-4-3-7-22(23)28-24(26(32)34)31-13-5-6-19(18-31)25(33)30-16-14-29(15-17-30)21-11-9-20(27)10-12-21/h3-4,7-12,19H,2,5-6,13-18H2,1H3/t19-/m1/s1
InChIKeyUNVJMXDWDHYVJV-LJQANCHMSA-N
XLogP3.12
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one?
The IUPAC name of 1-ethyl-3-[(3R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one (CID 30451481) is 1-ethyl-3-[(3R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one.
What is the SMILES notation for 1-ethyl-3-[(3R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one?
The canonical SMILES for 1-ethyl-3-[(3R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one is CCn1c(=O)c(N2CCC[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)nc2ccccc21.
What is the InChIKey of 1-ethyl-3-[(3R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one?
The InChIKey is UNVJMXDWDHYVJV-LJQANCHMSA-N. The full InChI is InChI=1S/C26H30FN5O2/c1-2-32-23-8-4-3-7-22(23)28-24(26(32)34)31-13-5-6-19(18-31)25(33)30-16-14-29(15-17-30)21-11-9-20(27)10-12-21/h3-4,7-12,19H,2,5-6,13-18H2,1H3/t19-/m1/s1.
What are the key properties of 1-ethyl-3-[(3R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one?
1-ethyl-3-[(3R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one has a molecular weight of 463.56 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one is sourced from PubChem (CID 30451481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).