2-amino-3-nitro-N-(2-piperidin-1-ylethyl)benzamide

C14H20N4O3 — CID 115677714

IUPAC2-amino-3-nitro-N-(2-piperidin-1-ylethyl)benzamide
SMILESNc1c(C(=O)NCCN2CCCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N4O3/c15-13-11(5-4-6-12(13)18(20)21)14(19)16-7-10-17-8-2-1-3-9-17/h4-6H,1-3,7-10,15H2,(H,16,19)
InChIKeyKGDNBRLRYWXQJU-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.39
Rot. Bonds5

About 2-amino-3-nitro-N-(2-piperidin-1-ylethyl)benzamide

2-amino-3-nitro-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 115677714) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-amino-3-nitro-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-nitro-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID115677714
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-amino-3-nitro-N-(2-piperidin-1-ylethyl)benzamide
SMILESNc1c(C(=O)NCCN2CCCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N4O3/c15-13-11(5-4-6-12(13)18(20)21)14(19)16-7-10-17-8-2-1-3-9-17/h4-6H,1-3,7-10,15H2,(H,16,19)
InChIKeyKGDNBRLRYWXQJU-UHFFFAOYSA-N
XLogP1.39
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 115937147
5-amino-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62642033
2-amino-3-nitro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 115678974
2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-nitrobenzamide
CID 103733778
5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62640963
3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 112575773
2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide
CID 112699109
2-amino-3-nitro-N-octylbenzamide
CID 115936915
2,6-difluoro-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 103740573
2-amino-3-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 103732898
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706
2-amino-N-(3-methylsulfinylbutyl)-3-nitrobenzamide
CID 115729440

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-nitro-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 2-amino-3-nitro-N-(2-piperidin-1-ylethyl)benzamide (CID 115677714) is 2-amino-3-nitro-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 2-amino-3-nitro-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 2-amino-3-nitro-N-(2-piperidin-1-ylethyl)benzamide is Nc1c(C(=O)NCCN2CCCCC2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-amino-3-nitro-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is KGDNBRLRYWXQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c15-13-11(5-4-6-12(13)18(20)21)14(19)16-7-10-17-8-2-1-3-9-17/h4-6H,1-3,7-10,15H2,(H,16,19).
What are the key properties of 2-amino-3-nitro-N-(2-piperidin-1-ylethyl)benzamide?
2-amino-3-nitro-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 292.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-nitro-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 115677714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).