N-methyl-4-(4-nitroanilino)-N-piperidin-4-ylbutanamide;hydrochloride

C16H25ClN4O3 — CID 119443474

IUPACN-methyl-4-(4-nitroanilino)-N-piperidin-4-ylbutanamide;hydrochloride
SMILESCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CCNCC1.Cl
InChIInChI=1S/C16H24N4O3.ClH/c1-19(14-8-11-17-12-9-14)16(21)3-2-10-18-13-4-6-15(7-5-13)20(22)23;/h4-7,14,17-18H,2-3,8-12H2,1H3;1H
InChIKeyOYCHKOQOFWSGCI-UHFFFAOYSA-N
MW356.85 g/mol
LogP2.42
Rot. Bonds7

About N-methyl-4-(4-nitroanilino)-N-piperidin-4-ylbutanamide;hydrochloride

N-methyl-4-(4-nitroanilino)-N-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119443474) has the molecular formula C16H25ClN4O3 and a molecular weight of 356.85 g/mol. Its IUPAC name is N-methyl-4-(4-nitroanilino)-N-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-4-(4-nitroanilino)-N-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119443474
Molecular FormulaC16H25ClN4O3
Molecular Weight356.85 g/mol
Exact Mass356.16
IUPAC NameN-methyl-4-(4-nitroanilino)-N-piperidin-4-ylbutanamide;hydrochloride
SMILESCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CCNCC1.Cl
InChIInChI=1S/C16H24N4O3.ClH/c1-19(14-8-11-17-12-9-14)16(21)3-2-10-18-13-4-6-15(7-5-13)20(22)23;/h4-7,14,17-18H,2-3,8-12H2,1H3;1H
InChIKeyOYCHKOQOFWSGCI-UHFFFAOYSA-N
XLogP2.42
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

4-(N-Propionylaniline)piperidine
CID 259381
N-(4-Piperidinyl)phenylacetamide
CID 74156
N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747
Acetamide, N-ethyl-N-(4-nitrophenyl)-
CID 74583
1-Acetyl-4-(4-nitrophenyl)piperazine
CID 2865149
N-(4-nitrophenyl)-4-oxo-4-(pyrrolidin-1-yl)butanamide
CID 2976693
Cyclopropanecarboxylic acid {1-[(2-nitro-phenylcarbamoyl)-methyl]-piperidin-4-yl}-amide
CID 3220823
N-cyclohexyl-N'-(4-nitrophenyl)pentanediamide
CID 3975900
1-[4-[3-(Cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 2919680
N-(4-piperidinophenyl)butanamide
CID 878069
1-(4-Nitrophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783008
1-(Cyclopropylcarbonyl)-4-{4-nitrophenyl}piperazine
CID 2931965

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-nitroanilino)-N-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-methyl-4-(4-nitroanilino)-N-piperidin-4-ylbutanamide;hydrochloride (CID 119443474) is N-methyl-4-(4-nitroanilino)-N-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-methyl-4-(4-nitroanilino)-N-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-methyl-4-(4-nitroanilino)-N-piperidin-4-ylbutanamide;hydrochloride is CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-4-(4-nitroanilino)-N-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is OYCHKOQOFWSGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3.ClH/c1-19(14-8-11-17-12-9-14)16(21)3-2-10-18-13-4-6-15(7-5-13)20(22)23;/h4-7,14,17-18H,2-3,8-12H2,1H3;1H.
What are the key properties of N-methyl-4-(4-nitroanilino)-N-piperidin-4-ylbutanamide;hydrochloride?
N-methyl-4-(4-nitroanilino)-N-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 356.85 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-nitroanilino)-N-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119443474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).