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

C27H33N5O3 — CID 30451443

IUPAC1-ethyl-3-[(3R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
SMILESCCn1c(=O)c(N2CCC[C@@H](C(=O)N3CCN(c4cccc(OC)c4)CC3)C2)nc2ccccc21
InChIInChI=1S/C27H33N5O3/c1-3-32-24-12-5-4-11-23(24)28-25(27(32)34)31-13-7-8-20(19-31)26(33)30-16-14-29(15-17-30)21-9-6-10-22(18-21)35-2/h4-6,9-12,18,20H,3,7-8,13-17,19H2,1-2H3/t20-/m1/s1
InChIKeyMHVBUTATISLKHM-HXUWFJFHSA-N
MW475.59 g/mol
LogP2.99
Rot. Bonds5

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

1-ethyl-3-[(3R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one (PubChem CID 30451443) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is 1-ethyl-3-[(3R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(3R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
PubChem CID30451443
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC Name1-ethyl-3-[(3R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
SMILESCCn1c(=O)c(N2CCC[C@@H](C(=O)N3CCN(c4cccc(OC)c4)CC3)C2)nc2ccccc21
InChIInChI=1S/C27H33N5O3/c1-3-32-24-12-5-4-11-23(24)28-25(27(32)34)31-13-7-8-20(19-31)26(33)30-16-14-29(15-17-30)21-9-6-10-22(18-21)35-2/h4-6,9-12,18,20H,3,7-8,13-17,19H2,1-2H3/t20-/m1/s1
InChIKeyMHVBUTATISLKHM-HXUWFJFHSA-N
XLogP2.99
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-3-[(3R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one?
The IUPAC name of 1-ethyl-3-[(3R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one (CID 30451443) is 1-ethyl-3-[(3R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one.
What is the SMILES notation for 1-ethyl-3-[(3R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one?
The canonical SMILES for 1-ethyl-3-[(3R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one is CCn1c(=O)c(N2CCC[C@@H](C(=O)N3CCN(c4cccc(OC)c4)CC3)C2)nc2ccccc21.
What is the InChIKey of 1-ethyl-3-[(3R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one?
The InChIKey is MHVBUTATISLKHM-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-3-32-24-12-5-4-11-23(24)28-25(27(32)34)31-13-7-8-20(19-31)26(33)30-16-14-29(15-17-30)21-9-6-10-22(18-21)35-2/h4-6,9-12,18,20H,3,7-8,13-17,19H2,1-2H3/t20-/m1/s1.
What are the key properties of 1-ethyl-3-[(3R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one?
1-ethyl-3-[(3R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one has a molecular weight of 475.59 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one is sourced from PubChem (CID 30451443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).