N,N-dimethyl-3-nitro-4-(piperidin-4-ylamino)benzamide

C14H20N4O3 — CID 82993215

IUPACN,N-dimethyl-3-nitro-4-(piperidin-4-ylamino)benzamide
SMILESCN(C)C(=O)c1ccc(NC2CCNCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H20N4O3/c1-17(2)14(19)10-3-4-12(13(9-10)18(20)21)16-11-5-7-15-8-6-11/h3-4,9,11,15-16H,5-8H2,1-2H3
InChIKeyQMPPVMLPZJDKSC-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.46
Rot. Bonds4

About N,N-dimethyl-3-nitro-4-(piperidin-4-ylamino)benzamide

N,N-dimethyl-3-nitro-4-(piperidin-4-ylamino)benzamide (PubChem CID 82993215) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N,N-dimethyl-3-nitro-4-(piperidin-4-ylamino)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-nitro-4-(piperidin-4-ylamino)benzamide
PubChem CID82993215
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN,N-dimethyl-3-nitro-4-(piperidin-4-ylamino)benzamide
SMILESCN(C)C(=O)c1ccc(NC2CCNCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H20N4O3/c1-17(2)14(19)10-3-4-12(13(9-10)18(20)21)16-11-5-7-15-8-6-11/h3-4,9,11,15-16H,5-8H2,1-2H3
InChIKeyQMPPVMLPZJDKSC-UHFFFAOYSA-N
XLogP1.46
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.46
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-nitro-4-(piperidin-4-ylamino)benzoic acid
CID 22120364
4-(cyclohex-3-en-1-ylamino)-N,N-dimethyl-3-nitrobenzamide
CID 82991077
N,N-dimethyl-3-nitro-4-(pyrrolidin-3-ylmethylamino)benzamide
CID 82993219
4-(cyclopropylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
CID 9227101
N,N,4-trimethyl-3-(piperidin-4-ylamino)benzamide
CID 54902739
4-(cyclopropylamino)-3-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450971
4-(cyclopropylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
CID 9225803
ethyl 3-nitro-4-(pyrrolidin-3-ylamino)benzoate
CID 155709067
N-methyl-4-[(2-methylpiperidin-4-yl)amino]-3-nitrobenzamide
CID 106995963
4-(cyclopropylamino)-N-ethyl-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 78855043
4-(cyclopropylamino)-N-methyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 134047047
N-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)-N-methyl-3-nitrobenzamide
CID 26594047

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-nitro-4-(piperidin-4-ylamino)benzamide?
The IUPAC name of N,N-dimethyl-3-nitro-4-(piperidin-4-ylamino)benzamide (CID 82993215) is N,N-dimethyl-3-nitro-4-(piperidin-4-ylamino)benzamide.
What is the SMILES notation for N,N-dimethyl-3-nitro-4-(piperidin-4-ylamino)benzamide?
The canonical SMILES for N,N-dimethyl-3-nitro-4-(piperidin-4-ylamino)benzamide is CN(C)C(=O)c1ccc(NC2CCNCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N,N-dimethyl-3-nitro-4-(piperidin-4-ylamino)benzamide?
The InChIKey is QMPPVMLPZJDKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-17(2)14(19)10-3-4-12(13(9-10)18(20)21)16-11-5-7-15-8-6-11/h3-4,9,11,15-16H,5-8H2,1-2H3.
What are the key properties of N,N-dimethyl-3-nitro-4-(piperidin-4-ylamino)benzamide?
N,N-dimethyl-3-nitro-4-(piperidin-4-ylamino)benzamide has a molecular weight of 292.34 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-nitro-4-(piperidin-4-ylamino)benzamide is sourced from PubChem (CID 82993215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).