N-[(3-methylphenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide

C25H30N4O2 — CID 50752891

IUPACN-[(3-methylphenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCCOc1nc2ccccc2nc1N1CCCC(C(=O)NCc2cccc(C)c2)C1
InChIInChI=1S/C25H30N4O2/c1-3-14-31-25-23(27-21-11-4-5-12-22(21)28-25)29-13-7-10-20(17-29)24(30)26-16-19-9-6-8-18(2)15-19/h4-6,8-9,11-12,15,20H,3,7,10,13-14,16-17H2,1-2H3,(H,26,30)
InChIKeyORBUTNCESSLUPM-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.26
Rot. Bonds7

About N-[(3-methylphenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide

N-[(3-methylphenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide (PubChem CID 50752891) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
PubChem CID50752891
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[(3-methylphenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCCOc1nc2ccccc2nc1N1CCCC(C(=O)NCc2cccc(C)c2)C1
InChIInChI=1S/C25H30N4O2/c1-3-14-31-25-23(27-21-11-4-5-12-22(21)28-25)29-13-7-10-20(17-29)24(30)26-16-19-9-6-8-18(2)15-19/h4-6,8-9,11-12,15,20H,3,7,10,13-14,16-17H2,1-2H3,(H,26,30)
InChIKeyORBUTNCESSLUPM-UHFFFAOYSA-N
XLogP4.26
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752850
N-(3-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752892
N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752908
(3S)-N-[(4-chlorophenyl)methyl]-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047786
(3R)-N-[[(2R)-oxolan-2-yl]methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 129420371
N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752841
N-(2-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752918
(3S)-N-(4-chlorophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009829
(3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009810
(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
(3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 97047734

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide (CID 50752891) is N-[(3-methylphenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide is CCCOc1nc2ccccc2nc1N1CCCC(C(=O)NCc2cccc(C)c2)C1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The InChIKey is ORBUTNCESSLUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-3-14-31-25-23(27-21-11-4-5-12-22(21)28-25)29-13-7-10-20(17-29)24(30)26-16-19-9-6-8-18(2)15-19/h4-6,8-9,11-12,15,20H,3,7,10,13-14,16-17H2,1-2H3,(H,26,30).
What are the key properties of N-[(3-methylphenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
N-[(3-methylphenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 50752891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).