4-hydroxy-2-methyl-5-nitro-N-piperidin-3-yl-N-propan-2-ylbenzamide

C16H23N3O4 — CID 143821163

IUPAC4-hydroxy-2-methyl-5-nitro-N-piperidin-3-yl-N-propan-2-ylbenzamide
SMILESCc1cc(O)c([N+](=O)[O-])cc1C(=O)N(C(C)C)C1CCCNC1
InChIInChI=1S/C16H23N3O4/c1-10(2)18(12-5-4-6-17-9-12)16(21)13-8-14(19(22)23)15(20)7-11(13)3/h7-8,10,12,17,20H,4-6,9H2,1-3H3
InChIKeyWTYPDJCXWVYNTK-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.21
Rot. Bonds4

About 4-hydroxy-2-methyl-5-nitro-N-piperidin-3-yl-N-propan-2-ylbenzamide

4-hydroxy-2-methyl-5-nitro-N-piperidin-3-yl-N-propan-2-ylbenzamide (PubChem CID 143821163) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-5-nitro-N-piperidin-3-yl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-5-nitro-N-piperidin-3-yl-N-propan-2-ylbenzamide
PubChem CID143821163
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name4-hydroxy-2-methyl-5-nitro-N-piperidin-3-yl-N-propan-2-ylbenzamide
SMILESCc1cc(O)c([N+](=O)[O-])cc1C(=O)N(C(C)C)C1CCCNC1
InChIInChI=1S/C16H23N3O4/c1-10(2)18(12-5-4-6-17-9-12)16(21)13-8-14(19(22)23)15(20)7-11(13)3/h7-8,10,12,17,20H,4-6,9H2,1-3H3
InChIKeyWTYPDJCXWVYNTK-UHFFFAOYSA-N
XLogP2.21
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.21
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

5-amino-4-hydroxy-2-methyl-N-piperidin-3-yl-N-propan-2-ylbenzamide
CID 143821382
(3R)-3-[(4-hydroxy-2-methyl-5-nitrobenzoyl)-propan-2-ylamino]piperidine-1-carboxylic acid
CID 67512872
3-nitro-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide
CID 82177207
[(3R)-piperidin-3-yl]-propan-2-ylcarbamic acid
CID 66860335
piperidin-3-yl(propan-2-yl)carbamic acid
CID 68784521
4-(4-hydroxybutyl)-2,2,7-trimethyl-3-oxo-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide
CID 51354754
tert-butyl (3R)-3-[(4-chloro-2-methyl-5-nitrobenzoyl)-propan-2-ylamino]piperidine-1-carboxylate
CID 58376495
4-hydroxy-3-(4-methoxybutyl)-N-piperidin-3-yl-N-propan-2-ylbenzamide
CID 143814264
N-cyclohexyl-4-fluoro-3-nitro-N-propan-2-ylbenzamide
CID 58376199
2,2,7-trimethyl-3-oxo-N-[(3R)-piperidin-3-yl]-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 51354478
3-methyl-4-nitro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866634
N-(azepan-4-yl)-N,2-dimethyl-6-nitrobenzamide
CID 107172581

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-5-nitro-N-piperidin-3-yl-N-propan-2-ylbenzamide?
The IUPAC name of 4-hydroxy-2-methyl-5-nitro-N-piperidin-3-yl-N-propan-2-ylbenzamide (CID 143821163) is 4-hydroxy-2-methyl-5-nitro-N-piperidin-3-yl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-hydroxy-2-methyl-5-nitro-N-piperidin-3-yl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-hydroxy-2-methyl-5-nitro-N-piperidin-3-yl-N-propan-2-ylbenzamide is Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N(C(C)C)C1CCCNC1.
What is the InChIKey of 4-hydroxy-2-methyl-5-nitro-N-piperidin-3-yl-N-propan-2-ylbenzamide?
The InChIKey is WTYPDJCXWVYNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-10(2)18(12-5-4-6-17-9-12)16(21)13-8-14(19(22)23)15(20)7-11(13)3/h7-8,10,12,17,20H,4-6,9H2,1-3H3.
What are the key properties of 4-hydroxy-2-methyl-5-nitro-N-piperidin-3-yl-N-propan-2-ylbenzamide?
4-hydroxy-2-methyl-5-nitro-N-piperidin-3-yl-N-propan-2-ylbenzamide has a molecular weight of 321.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-5-nitro-N-piperidin-3-yl-N-propan-2-ylbenzamide is sourced from PubChem (CID 143821163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).