N-(4-methylpiperazin-1-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide

C17H25N5O3 — CID 9205519

IUPACN-(4-methylpiperazin-1-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESCN1CCN(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1
InChIInChI=1S/C17H25N5O3/c1-19-10-12-21(13-11-19)18-17(23)14-6-8-20(9-7-14)15-4-2-3-5-16(15)22(24)25/h2-5,14H,6-13H2,1H3,(H,18,23)
InChIKeyNGRKWERQLFFKEY-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.09
Rot. Bonds4

About N-(4-methylpiperazin-1-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide

N-(4-methylpiperazin-1-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide (PubChem CID 9205519) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide
PubChem CID9205519
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC NameN-(4-methylpiperazin-1-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESCN1CCN(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1
InChIInChI=1S/C17H25N5O3/c1-19-10-12-21(13-11-19)18-17(23)14-6-8-20(9-7-14)15-4-2-3-5-16(15)22(24)25/h2-5,14H,6-13H2,1H3,(H,18,23)
InChIKeyNGRKWERQLFFKEY-UHFFFAOYSA-N
XLogP1.09
TPSA81.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55728023
N-[(2R)-3-methylbutan-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 40809904
N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 26114451
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 25359789
N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 17494985
N-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 27659238
[1-(2-nitrophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 27670338
ethane;1-methyl-4-(2-nitrophenyl)-1,4-diazepane
CID 91421096
azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 78803930
N-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9431636
1-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
CID 51326573
1-(2-nitrophenyl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 42119835

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide (CID 9205519) is N-(4-methylpiperazin-1-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide is CN1CCN(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is NGRKWERQLFFKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-19-10-12-21(13-11-19)18-17(23)14-6-8-20(9-7-14)15-4-2-3-5-16(15)22(24)25/h2-5,14H,6-13H2,1H3,(H,18,23).
What are the key properties of N-(4-methylpiperazin-1-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
N-(4-methylpiperazin-1-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 9205519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).