4-(4-methylpiperidin-1-yl)-3-nitro-N-(4-pyrazin-2-yloxyphenyl)benzamide

C23H23N5O4 — CID 46469000

IUPAC4-(4-methylpiperidin-1-yl)-3-nitro-N-(4-pyrazin-2-yloxyphenyl)benzamide
SMILESCC1CCN(c2ccc(C(=O)Nc3ccc(Oc4cnccn4)cc3)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C23H23N5O4/c1-16-8-12-27(13-9-16)20-7-2-17(14-21(20)28(30)31)23(29)26-18-3-5-19(6-4-18)32-22-15-24-10-11-25-22/h2-7,10-11,14-16H,8-9,12-13H2,1H3,(H,26,29)
InChIKeyHNTAYEWLDRIZBB-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.67
Rot. Bonds6

About 4-(4-methylpiperidin-1-yl)-3-nitro-N-(4-pyrazin-2-yloxyphenyl)benzamide

4-(4-methylpiperidin-1-yl)-3-nitro-N-(4-pyrazin-2-yloxyphenyl)benzamide (PubChem CID 46469000) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-3-nitro-N-(4-pyrazin-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-3-nitro-N-(4-pyrazin-2-yloxyphenyl)benzamide
PubChem CID46469000
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name4-(4-methylpiperidin-1-yl)-3-nitro-N-(4-pyrazin-2-yloxyphenyl)benzamide
SMILESCC1CCN(c2ccc(C(=O)Nc3ccc(Oc4cnccn4)cc3)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C23H23N5O4/c1-16-8-12-27(13-9-16)20-7-2-17(14-21(20)28(30)31)23(29)26-18-3-5-19(6-4-18)32-22-15-24-10-11-25-22/h2-7,10-11,14-16H,8-9,12-13H2,1H3,(H,26,29)
InChIKeyHNTAYEWLDRIZBB-UHFFFAOYSA-N
XLogP4.67
TPSA110.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-methylphenoxy)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 4844561
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 17274373
4-(4-acetylpiperazin-1-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-nitrobenzamide
CID 55713882
N-(3-iodo-4-methylphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 4568202
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 17098689
N-[3-(cyclopropylcarbamoyl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 27447562
2-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]-1,3-thiazole-5-carboxamide
CID 25333334
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 18283868
N-(4-acetylphenyl)-4-(azepan-1-yl)-3-nitrobenzamide
CID 7406902
N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2964862
N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 17335378
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 21229734

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-3-nitro-N-(4-pyrazin-2-yloxyphenyl)benzamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-3-nitro-N-(4-pyrazin-2-yloxyphenyl)benzamide (CID 46469000) is 4-(4-methylpiperidin-1-yl)-3-nitro-N-(4-pyrazin-2-yloxyphenyl)benzamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-3-nitro-N-(4-pyrazin-2-yloxyphenyl)benzamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-3-nitro-N-(4-pyrazin-2-yloxyphenyl)benzamide is CC1CCN(c2ccc(C(=O)Nc3ccc(Oc4cnccn4)cc3)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-3-nitro-N-(4-pyrazin-2-yloxyphenyl)benzamide?
The InChIKey is HNTAYEWLDRIZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-16-8-12-27(13-9-16)20-7-2-17(14-21(20)28(30)31)23(29)26-18-3-5-19(6-4-18)32-22-15-24-10-11-25-22/h2-7,10-11,14-16H,8-9,12-13H2,1H3,(H,26,29).
What are the key properties of 4-(4-methylpiperidin-1-yl)-3-nitro-N-(4-pyrazin-2-yloxyphenyl)benzamide?
4-(4-methylpiperidin-1-yl)-3-nitro-N-(4-pyrazin-2-yloxyphenyl)benzamide has a molecular weight of 433.47 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-3-nitro-N-(4-pyrazin-2-yloxyphenyl)benzamide is sourced from PubChem (CID 46469000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).