1-[1-(4-chlorophenyl)-3-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)propyl]piperidine-4-carboxamide

C25H29ClN4O2 — CID 58836860

IUPAC1-[1-(4-chlorophenyl)-3-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)propyl]piperidine-4-carboxamide
SMILESCCc1nc2cc(CCC(c3ccc(Cl)cc3)N3CCC(C(N)=O)CC3)ccc2[nH]c1=O
InChIInChI=1S/C25H29ClN4O2/c1-2-20-25(32)29-21-9-3-16(15-22(21)28-20)4-10-23(17-5-7-19(26)8-6-17)30-13-11-18(12-14-30)24(27)31/h3,5-9,15,18,23H,2,4,10-14H2,1H3,(H2,27,31)(H,29,32)
InChIKeyAOGWEJJQYHHAIL-UHFFFAOYSA-N
MW452.99 g/mol
LogP4.01
Rot. Bonds7

About 1-[1-(4-chlorophenyl)-3-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)propyl]piperidine-4-carboxamide

1-[1-(4-chlorophenyl)-3-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)propyl]piperidine-4-carboxamide (PubChem CID 58836860) has the molecular formula C25H29ClN4O2 and a molecular weight of 452.99 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-3-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-3-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)propyl]piperidine-4-carboxamide
PubChem CID58836860
Molecular FormulaC25H29ClN4O2
Molecular Weight452.99 g/mol
Exact Mass452.20
IUPAC Name1-[1-(4-chlorophenyl)-3-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)propyl]piperidine-4-carboxamide
SMILESCCc1nc2cc(CCC(c3ccc(Cl)cc3)N3CCC(C(N)=O)CC3)ccc2[nH]c1=O
InChIInChI=1S/C25H29ClN4O2/c1-2-20-25(32)29-21-9-3-16(15-22(21)28-20)4-10-23(17-5-7-19(26)8-6-17)30-13-11-18(12-14-30)24(27)31/h3,5-9,15,18,23H,2,4,10-14H2,1H3,(H2,27,31)(H,29,32)
InChIKeyAOGWEJJQYHHAIL-UHFFFAOYSA-N
XLogP4.01
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.99
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-ethyl-1H-quinoxalin-2-one
CID 58836861
6-[2-(4-chlorophenyl)-2-[(4R)-4-methyl-4,5-dihydroazepin-1-yl]ethyl]-3-ethyl-1H-quinoxalin-2-one
CID 143057195
3-ethyl-6-[(4-oxopiperidin-1-yl)-phenylmethyl]-1H-quinoxalin-2-one
CID 59596213
1-[(4-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3209990
2-(4-carbamoylpiperidin-1-yl)-2-(4-chlorophenyl)acetic acid
CID 82344904
3-ethyl-6-(2-methylpropanoyl)-1H-quinoxalin-2-one
CID 58442705
(3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 51698188
1-[(1R)-1-(4-chlorophenyl)butyl]-4-methylpiperidine
CID 92967695
1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride
CID 119908754
1-[(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3210366
1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid
CID 5196353
(3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 118058321

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-3-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-chlorophenyl)-3-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)propyl]piperidine-4-carboxamide (CID 58836860) is 1-[1-(4-chlorophenyl)-3-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-3-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-chlorophenyl)-3-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)propyl]piperidine-4-carboxamide is CCc1nc2cc(CCC(c3ccc(Cl)cc3)N3CCC(C(N)=O)CC3)ccc2[nH]c1=O.
What is the InChIKey of 1-[1-(4-chlorophenyl)-3-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)propyl]piperidine-4-carboxamide?
The InChIKey is AOGWEJJQYHHAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O2/c1-2-20-25(32)29-21-9-3-16(15-22(21)28-20)4-10-23(17-5-7-19(26)8-6-17)30-13-11-18(12-14-30)24(27)31/h3,5-9,15,18,23H,2,4,10-14H2,1H3,(H2,27,31)(H,29,32).
What are the key properties of 1-[1-(4-chlorophenyl)-3-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)propyl]piperidine-4-carboxamide?
1-[1-(4-chlorophenyl)-3-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)propyl]piperidine-4-carboxamide has a molecular weight of 452.99 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-3-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 58836860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).