N-methyl-2-(4-nitrophenyl)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide

C21H25N3O3 — CID 34470185

IUPACN-methyl-2-(4-nitrophenyl)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H25N3O3/c1-22(21(25)15-17-5-11-20(12-6-17)24(26)27)16-18-7-9-19(10-8-18)23-13-3-2-4-14-23/h5-12H,2-4,13-16H2,1H3
InChIKeyXKJKHMZSRPUQQP-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.79
Rot. Bonds6

About N-methyl-2-(4-nitrophenyl)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide

N-methyl-2-(4-nitrophenyl)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide (PubChem CID 34470185) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-methyl-2-(4-nitrophenyl)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-nitrophenyl)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
PubChem CID34470185
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-methyl-2-(4-nitrophenyl)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H25N3O3/c1-22(21(25)15-17-5-11-20(12-6-17)24(26)27)16-18-7-9-19(10-8-18)23-13-3-2-4-14-23/h5-12H,2-4,13-16H2,1H3
InChIKeyXKJKHMZSRPUQQP-UHFFFAOYSA-N
XLogP3.79
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', '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

N-[(4-chlorophenyl)methyl]-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 8590755
3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231414
N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 18072731
N-methyl-2-(methylamino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 61254195
N-(2-hydroxypropyl)-N-methyl-2-(4-nitrophenyl)acetamide
CID 62332693
N-methyl-1-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]piperidin-4-amine
CID 19784343
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)acetamide
CID 43010406
(E)-but-2-enedioic acid;N-methyl-N-[(4-nitrophenyl)methyl]-1-[1-(4-nitrophenyl)piperidin-4-yl]methanamine
CID 19092266
1-[4-(4-nitrophenyl)phenyl]piperidine
CID 22899688
2-(4-nitrophenyl)-1-piperidin-1-ylethanone
CID 3594276
N-methyl-2-(4-nitrophenyl)-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 14632710
N-methyl-2-(4-nitrophenyl)-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46878015

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-nitrophenyl)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide?
The IUPAC name of N-methyl-2-(4-nitrophenyl)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide (CID 34470185) is N-methyl-2-(4-nitrophenyl)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(4-nitrophenyl)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(4-nitrophenyl)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide is CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-2-(4-nitrophenyl)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide?
The InChIKey is XKJKHMZSRPUQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-22(21(25)15-17-5-11-20(12-6-17)24(26)27)16-18-7-9-19(10-8-18)23-13-3-2-4-14-23/h5-12H,2-4,13-16H2,1H3.
What are the key properties of N-methyl-2-(4-nitrophenyl)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide?
N-methyl-2-(4-nitrophenyl)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide has a molecular weight of 367.45 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-nitrophenyl)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 34470185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).