N,4-dimethyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide

C17H25N3O3 — CID 134047066

IUPACN,4-dimethyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCc1ccc(C(=O)N(C)C2CCN(C(C)C)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H25N3O3/c1-12(2)19-9-7-15(8-10-19)18(4)17(21)14-6-5-13(3)16(11-14)20(22)23/h5-6,11-12,15H,7-10H2,1-4H3
InChIKeyULAWQTJNPXTUNL-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.85
Rot. Bonds4

About N,4-dimethyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide

N,4-dimethyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide (PubChem CID 134047066) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N,4-dimethyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound NameN,4-dimethyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
PubChem CID134047066
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN,4-dimethyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCc1ccc(C(=O)N(C)C2CCN(C(C)C)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H25N3O3/c1-12(2)19-9-7-15(8-10-19)18(4)17(21)14-6-5-13(3)16(11-14)20(22)23/h5-6,11-12,15H,7-10H2,1-4H3
InChIKeyULAWQTJNPXTUNL-UHFFFAOYSA-N
XLogP2.85
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-(cyclopropylamino)-N-methyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 134047047
N,3-dimethyl-N-(4-methylcyclohexyl)-4-nitrobenzamide
CID 27859420
N-(2-chlorocyclohexyl)-N,4-dimethyl-3-nitrobenzamide
CID 102638136
N-methyl-9-oxo-N-(1-propan-2-ylpiperidin-4-yl)fluorene-2-carboxamide
CID 134047015
N-cyclobutyl-N-methyl-4-(methylamino)-3-nitrobenzamide
CID 115649333
2-chloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 60725190
4-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide;dihydrochloride
CID 119842344
N,4-dimethyl-3-nitro-N-(1-phenylethyl)benzamide
CID 46564802
N-cyclohexyl-N-methyl-4-(methylamino)-3-nitrobenzamide
CID 17396951
N-cyclohexyl-N-methyl-4-morpholin-4-yl-3-nitrobenzamide
CID 2969969
4-methyl-N,N-bis(3-methylbutyl)-3-nitrobenzamide
CID 60520289
3-amino-N-methyl-4-nitro-N-(oxan-4-yl)benzamide
CID 62680681

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of N,4-dimethyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide (CID 134047066) is N,4-dimethyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for N,4-dimethyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for N,4-dimethyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide is Cc1ccc(C(=O)N(C)C2CCN(C(C)C)CC2)cc1[N+](=O)[O-].
What is the InChIKey of N,4-dimethyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The InChIKey is ULAWQTJNPXTUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(2)19-9-7-15(8-10-19)18(4)17(21)14-6-5-13(3)16(11-14)20(22)23/h5-6,11-12,15H,7-10H2,1-4H3.
What are the key properties of N,4-dimethyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
N,4-dimethyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide has a molecular weight of 319.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 134047066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).