3-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1-methylquinoxalin-2-one

C25H28ClN5O2 — CID 53070305

IUPAC3-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1-methylquinoxalin-2-one
SMILESCn1c(=O)c(N2CCCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)C2)nc2ccccc21
InChIInChI=1S/C25H28ClN5O2/c1-28-22-10-3-2-9-21(22)27-23(25(28)33)31-11-5-6-18(17-31)24(32)30-14-12-29(13-15-30)20-8-4-7-19(26)16-20/h2-4,7-10,16,18H,5-6,11-15,17H2,1H3
InChIKeyLCOBTDFFXKLZRD-UHFFFAOYSA-N
MW465.99 g/mol
LogP3.15
Rot. Bonds3

About 3-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1-methylquinoxalin-2-one

3-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1-methylquinoxalin-2-one (PubChem CID 53070305) has the molecular formula C25H28ClN5O2 and a molecular weight of 465.99 g/mol. Its IUPAC name is 3-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1-methylquinoxalin-2-one.

Molecular Properties

Compound Name3-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1-methylquinoxalin-2-one
PubChem CID53070305
Molecular FormulaC25H28ClN5O2
Molecular Weight465.99 g/mol
Exact Mass465.19
IUPAC Name3-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1-methylquinoxalin-2-one
SMILESCn1c(=O)c(N2CCCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)C2)nc2ccccc21
InChIInChI=1S/C25H28ClN5O2/c1-28-22-10-3-2-9-21(22)27-23(25(28)33)31-11-5-6-18(17-31)24(32)30-14-12-29(13-15-30)20-8-4-7-19(26)16-20/h2-4,7-10,16,18H,5-6,11-15,17H2,1H3
InChIKeyLCOBTDFFXKLZRD-UHFFFAOYSA-N
XLogP3.15
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.99
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124815112
1-ethyl-3-[(3R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
CID 30451443
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
CID 96588891
[4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124831134
2-[3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one
CID 50781430
[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166603413
1-ethyl-3-[(3R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
CID 30451481
N-cyclopropyl-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 71686625
1-ethyl-3-[(3S)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
CID 30451457
[(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 67099362
[4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124803223
tert-butyl (3R)-3-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazine-1-carbonyl]piperidine-1-carboxylate
CID 59568263

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1-methylquinoxalin-2-one?
The IUPAC name of 3-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1-methylquinoxalin-2-one (CID 53070305) is 3-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1-methylquinoxalin-2-one.
What is the SMILES notation for 3-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1-methylquinoxalin-2-one?
The canonical SMILES for 3-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1-methylquinoxalin-2-one is Cn1c(=O)c(N2CCCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)C2)nc2ccccc21.
What is the InChIKey of 3-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1-methylquinoxalin-2-one?
The InChIKey is LCOBTDFFXKLZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O2/c1-28-22-10-3-2-9-21(22)27-23(25(28)33)31-11-5-6-18(17-31)24(32)30-14-12-29(13-15-30)20-8-4-7-19(26)16-20/h2-4,7-10,16,18H,5-6,11-15,17H2,1H3.
What are the key properties of 3-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1-methylquinoxalin-2-one?
3-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1-methylquinoxalin-2-one has a molecular weight of 465.99 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1-methylquinoxalin-2-one is sourced from PubChem (CID 53070305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).