N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylpropanamide

C15H21N3O3 — CID 3135467

IUPACN-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylpropanamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C(C)N1CCCCC1
InChIInChI=1S/C15H21N3O3/c1-11-6-7-13(18(20)21)10-14(11)16-15(19)12(2)17-8-4-3-5-9-17/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,16,19)
InChIKeyQISVQEDJFLAPEC-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.72
Rot. Bonds4

About N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylpropanamide

N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylpropanamide (PubChem CID 3135467) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylpropanamide
PubChem CID3135467
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylpropanamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C(C)N1CCCCC1
InChIInChI=1S/C15H21N3O3/c1-11-6-7-13(18(20)21)10-14(11)16-15(19)12(2)17-8-4-3-5-9-17/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,16,19)
InChIKeyQISVQEDJFLAPEC-UHFFFAOYSA-N
XLogP2.72
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylpropanamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylpropanamide (CID 3135467) is N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylpropanamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylpropanamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C)N1CCCCC1.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylpropanamide?
The InChIKey is QISVQEDJFLAPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-6-7-13(18(20)21)10-14(11)16-15(19)12(2)17-8-4-3-5-9-17/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,16,19).
What are the key properties of N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylpropanamide?
N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylpropanamide has a molecular weight of 291.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylpropanamide is sourced from PubChem (CID 3135467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).