3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide

C17H24N4O4 — CID 39146873

IUPAC3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
SMILESCCCNC(=O)CN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C17H24N4O4/c1-2-8-18-16(22)12-20-9-6-14(7-10-20)19-17(23)13-4-3-5-15(11-13)21(24)25/h3-5,11,14H,2,6-10,12H2,1H3,(H,18,22)(H,19,23)
InChIKeyWGKNNRGWKWYAAW-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.32
Rot. Bonds7

About 3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide

3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide (PubChem CID 39146873) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
PubChem CID39146873
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
SMILESCCCNC(=O)CN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C17H24N4O4/c1-2-8-18-16(22)12-20-9-6-14(7-10-20)19-17(23)13-4-3-5-15(11-13)21(24)25/h3-5,11,14H,2,6-10,12H2,1H3,(H,18,22)(H,19,23)
InChIKeyWGKNNRGWKWYAAW-UHFFFAOYSA-N
XLogP1.32
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-(methanesulfonamido)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39135117
3-fluoro-4-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39145303
3-[(3-methylphenyl)methoxy]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39144729
N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(thiophen-2-ylmethoxy)benzamide
CID 39144071
ethyl 4-[[(2S)-2-[(3-nitrobenzoyl)amino]propanoyl]amino]piperidine-1-carboxylate
CID 55936203
2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 119946633
1-ethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]indole-2-carboxamide
CID 55959738
N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723372
2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 55658570
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-nitrobenzamide
CID 111429688
[2-oxo-2-(propylamino)ethyl] 3-nitrobenzoate
CID 2622523
N-[1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidin-4-yl]benzamide
CID 18131571

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide (CID 39146873) is 3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide is CCCNC(=O)CN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1.
What is the InChIKey of 3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide?
The InChIKey is WGKNNRGWKWYAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-2-8-18-16(22)12-20-9-6-14(7-10-20)19-17(23)13-4-3-5-15(11-13)21(24)25/h3-5,11,14H,2,6-10,12H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide?
3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide has a molecular weight of 348.40 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 39146873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).