[4-(3-piperidin-1-ylpropoxy)phenyl]-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]methanone

C28H33N5O3 — CID 10005692

IUPAC[4-(3-piperidin-1-ylpropoxy)phenyl]-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(OCCCN2CCCCC2)cc1)N1CCN(C(=O)c2cnc3ccccc3n2)CC1
InChIInChI=1S/C28H33N5O3/c34-27(22-9-11-23(12-10-22)36-20-6-15-31-13-4-1-5-14-31)32-16-18-33(19-17-32)28(35)26-21-29-24-7-2-3-8-25(24)30-26/h2-3,7-12,21H,1,4-6,13-20H2
InChIKeyUWFMYRFBZQGTSC-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.48
Rot. Bonds7

About [4-(3-piperidin-1-ylpropoxy)phenyl]-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]methanone

[4-(3-piperidin-1-ylpropoxy)phenyl]-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 10005692) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is [4-(3-piperidin-1-ylpropoxy)phenyl]-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-piperidin-1-ylpropoxy)phenyl]-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]methanone
PubChem CID10005692
Molecular FormulaC28H33N5O3
Molecular Weight487.60 g/mol
Exact Mass487.26
IUPAC Name[4-(3-piperidin-1-ylpropoxy)phenyl]-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(OCCCN2CCCCC2)cc1)N1CCN(C(=O)c2cnc3ccccc3n2)CC1
InChIInChI=1S/C28H33N5O3/c34-27(22-9-11-23(12-10-22)36-20-6-15-31-13-4-1-5-14-31)32-16-18-33(19-17-32)28(35)26-21-29-24-7-2-3-8-25(24)30-26/h2-3,7-12,21H,1,4-6,13-20H2
InChIKeyUWFMYRFBZQGTSC-UHFFFAOYSA-N
XLogP3.48
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-methylcyclohexyl)-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]methanone
CID 10072727
[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10389448
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10342375
6-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 10025889
[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-pyrrolidin-1-ylmethanone;1-methylpyrrolidine
CID 142171815
1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-[4-(pyrrolidine-1-carbonyl)benzoyl]piperazin-2-one
CID 59840170
(4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone
CID 33365935
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone
CID 47067486
(3,4-dichlorophenyl)-[4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 152646882
[4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-quinolin-4-ylmethanone
CID 59250163
phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone
CID 45272100
[4-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-phenylmethanone
CID 59250200

Frequently Asked Questions

What is the IUPAC name of [4-(3-piperidin-1-ylpropoxy)phenyl]-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(3-piperidin-1-ylpropoxy)phenyl]-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]methanone (CID 10005692) is [4-(3-piperidin-1-ylpropoxy)phenyl]-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(3-piperidin-1-ylpropoxy)phenyl]-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(3-piperidin-1-ylpropoxy)phenyl]-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccc(OCCCN2CCCCC2)cc1)N1CCN(C(=O)c2cnc3ccccc3n2)CC1.
What is the InChIKey of [4-(3-piperidin-1-ylpropoxy)phenyl]-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is UWFMYRFBZQGTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3/c34-27(22-9-11-23(12-10-22)36-20-6-15-31-13-4-1-5-14-31)32-16-18-33(19-17-32)28(35)26-21-29-24-7-2-3-8-25(24)30-26/h2-3,7-12,21H,1,4-6,13-20H2.
What are the key properties of [4-(3-piperidin-1-ylpropoxy)phenyl]-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]methanone?
[4-(3-piperidin-1-ylpropoxy)phenyl]-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 487.60 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-piperidin-1-ylpropoxy)phenyl]-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 10005692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).