N-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide

C20H24N4O3 — CID 60609216

IUPACN-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide
SMILESCN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C20H24N4O3/c1-22(20(25)16-5-7-19(8-6-16)24(26)27)18-10-14-23(15-11-18)13-9-17-4-2-3-12-21-17/h2-8,12,18H,9-11,13-15H2,1H3
InChIKeyWQMSHNFXQDSXOS-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.77
Rot. Bonds6

About N-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide

N-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide (PubChem CID 60609216) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide
PubChem CID60609216
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide
SMILESCN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C20H24N4O3/c1-22(20(25)16-5-7-19(8-6-16)24(26)27)18-10-14-23(15-11-18)13-9-17-4-2-3-12-21-17/h2-8,12,18H,9-11,13-15H2,1H3
InChIKeyWQMSHNFXQDSXOS-UHFFFAOYSA-N
XLogP2.77
TPSA79.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
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'}

Analyze N-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide;dihydrochloride
CID 119868605
N-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1H-pyridine-2-carboxamide
CID 138025288
N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide
CID 146091210
N-[2-(dimethylamino)ethyl]-4-methylsulfonyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide
CID 24732077
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide
CID 60609141
4-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]butanamide
CID 119868618
2-(4-nitrophenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 17013540
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119868586
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119868585
(1S)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 52510919
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119868587
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119868601

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide?
The IUPAC name of N-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide (CID 60609216) is N-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide is CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(CCc2ccccn2)CC1.
What is the InChIKey of N-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide?
The InChIKey is WQMSHNFXQDSXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-22(20(25)16-5-7-19(8-6-16)24(26)27)18-10-14-23(15-11-18)13-9-17-4-2-3-12-21-17/h2-8,12,18H,9-11,13-15H2,1H3.
What are the key properties of N-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide?
N-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide has a molecular weight of 368.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 60609216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).