N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(2-nitrophenyl)acetamide

C21H25N3O3 — CID 47038041

IUPACN-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(2-nitrophenyl)acetamide
SMILESCC1CCN(Cc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)CC1
InChIInChI=1S/C21H25N3O3/c1-16-10-12-23(13-11-16)15-17-6-8-19(9-7-17)22-21(25)14-18-4-2-3-5-20(18)24(26)27/h2-9,16H,10-15H2,1H3,(H,22,25)
InChIKeyCVSBPNNTCDXNKP-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.01
Rot. Bonds6

About N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(2-nitrophenyl)acetamide

N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(2-nitrophenyl)acetamide (PubChem CID 47038041) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(2-nitrophenyl)acetamide
PubChem CID47038041
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(2-nitrophenyl)acetamide
SMILESCC1CCN(Cc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)CC1
InChIInChI=1S/C21H25N3O3/c1-16-10-12-23(13-11-16)15-17-6-8-19(9-7-17)22-21(25)14-18-4-2-3-5-20(18)24(26)27/h2-9,16H,10-15H2,1H3,(H,22,25)
InChIKeyCVSBPNNTCDXNKP-UHFFFAOYSA-N
XLogP4.01
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.01
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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Related Compounds

N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 46579766
2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 120703837
N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide
CID 51154622
N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide
CID 887556
N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide
CID 108760674
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide
CID 108737782
3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 60517587
N-(3-chloro-4-methylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384920
2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide
CID 119844839
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2-nitrophenyl)acetamide
CID 26863026
N-methyl-2-[4-[[2-(2-nitrophenyl)acetyl]amino]phenyl]-N-phenylacetamide
CID 60533837
N-[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-(2-nitrophenyl)acetamide
CID 51941754

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(2-nitrophenyl)acetamide (CID 47038041) is N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(2-nitrophenyl)acetamide is CC1CCN(Cc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is CVSBPNNTCDXNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16-10-12-23(13-11-16)15-17-6-8-19(9-7-17)22-21(25)14-18-4-2-3-5-20(18)24(26)27/h2-9,16H,10-15H2,1H3,(H,22,25).
What are the key properties of N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(2-nitrophenyl)acetamide?
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 367.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 47038041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).