N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide

C25H29N5O3 — CID 50752841

IUPACN-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCCOc1nc2ccccc2nc1N1CCCC(C(=O)Nc2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C25H29N5O3/c1-3-15-33-25-23(28-21-8-4-5-9-22(21)29-25)30-14-6-7-18(16-30)24(32)27-20-12-10-19(11-13-20)26-17(2)31/h4-5,8-13,18H,3,6-7,14-16H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyJAIQIIWHOWSGHW-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.23
Rot. Bonds7

About N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide

N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide (PubChem CID 50752841) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
PubChem CID50752841
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCCOc1nc2ccccc2nc1N1CCCC(C(=O)Nc2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C25H29N5O3/c1-3-15-33-25-23(28-21-8-4-5-9-22(21)29-25)30-14-6-7-18(16-30)24(32)27-20-12-10-19(11-13-20)26-17(2)31/h4-5,8-13,18H,3,6-7,14-16H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyJAIQIIWHOWSGHW-UHFFFAOYSA-N
XLogP4.23
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(4-chlorophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009829
N-(3-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752892
N-(2-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752918
N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752908
N-(4-ethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752640
(3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009810
1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide
CID 50752515
(3R)-N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047797
N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752840
(3R)-N-[[(2R)-oxolan-2-yl]methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 129420371
N-[(4-fluorophenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752850
(3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047724

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide (CID 50752841) is N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide is CCCOc1nc2ccccc2nc1N1CCCC(C(=O)Nc2ccc(NC(C)=O)cc2)C1.
What is the InChIKey of N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The InChIKey is JAIQIIWHOWSGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-3-15-33-25-23(28-21-8-4-5-9-22(21)29-25)30-14-6-7-18(16-30)24(32)27-20-12-10-19(11-13-20)26-17(2)31/h4-5,8-13,18H,3,6-7,14-16H2,1-2H3,(H,26,31)(H,27,32).
What are the key properties of N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 50752841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).