2-acetamido-3-(2-methoxyphenyl)-N-[1-(4-nitrobenzoyl)piperidin-4-yl]propanamide

C24H28N4O6 — CID 3227043

IUPAC2-acetamido-3-(2-methoxyphenyl)-N-[1-(4-nitrobenzoyl)piperidin-4-yl]propanamide
SMILESCOc1ccccc1CC(NC(C)=O)C(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C24H28N4O6/c1-16(29)25-21(15-18-5-3-4-6-22(18)34-2)23(30)26-19-11-13-27(14-12-19)24(31)17-7-9-20(10-8-17)28(32)33/h3-10,19,21H,11-15H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyRCCVNKXAIMADPU-UHFFFAOYSA-N
MW468.51 g/mol
LogP2.07
Rot. Bonds8

About 2-acetamido-3-(2-methoxyphenyl)-N-[1-(4-nitrobenzoyl)piperidin-4-yl]propanamide

2-acetamido-3-(2-methoxyphenyl)-N-[1-(4-nitrobenzoyl)piperidin-4-yl]propanamide (PubChem CID 3227043) has the molecular formula C24H28N4O6 and a molecular weight of 468.51 g/mol. Its IUPAC name is 2-acetamido-3-(2-methoxyphenyl)-N-[1-(4-nitrobenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(2-methoxyphenyl)-N-[1-(4-nitrobenzoyl)piperidin-4-yl]propanamide
PubChem CID3227043
Molecular FormulaC24H28N4O6
Molecular Weight468.51 g/mol
Exact Mass468.20
IUPAC Name2-acetamido-3-(2-methoxyphenyl)-N-[1-(4-nitrobenzoyl)piperidin-4-yl]propanamide
SMILESCOc1ccccc1CC(NC(C)=O)C(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C24H28N4O6/c1-16(29)25-21(15-18-5-3-4-6-22(18)34-2)23(30)26-19-11-13-27(14-12-19)24(31)17-7-9-20(10-8-17)28(32)33/h3-10,19,21H,11-15H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyRCCVNKXAIMADPU-UHFFFAOYSA-N
XLogP2.07
TPSA130.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-acetamido-3-(2-methoxyphenyl)-N-[1-(4-nitrobenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-acetamido-3-(2-methoxyphenyl)-N-[1-(4-nitrobenzoyl)piperidin-4-yl]propanamide (CID 3227043) is 2-acetamido-3-(2-methoxyphenyl)-N-[1-(4-nitrobenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-acetamido-3-(2-methoxyphenyl)-N-[1-(4-nitrobenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-acetamido-3-(2-methoxyphenyl)-N-[1-(4-nitrobenzoyl)piperidin-4-yl]propanamide is COc1ccccc1CC(NC(C)=O)C(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 2-acetamido-3-(2-methoxyphenyl)-N-[1-(4-nitrobenzoyl)piperidin-4-yl]propanamide?
The InChIKey is RCCVNKXAIMADPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O6/c1-16(29)25-21(15-18-5-3-4-6-22(18)34-2)23(30)26-19-11-13-27(14-12-19)24(31)17-7-9-20(10-8-17)28(32)33/h3-10,19,21H,11-15H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 2-acetamido-3-(2-methoxyphenyl)-N-[1-(4-nitrobenzoyl)piperidin-4-yl]propanamide?
2-acetamido-3-(2-methoxyphenyl)-N-[1-(4-nitrobenzoyl)piperidin-4-yl]propanamide has a molecular weight of 468.51 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(2-methoxyphenyl)-N-[1-(4-nitrobenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 3227043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).