N-methyl-1-[2-(4-nitroindol-1-yl)acetyl]piperidine-4-carboxamide

C17H20N4O4 — CID 75374008

IUPACN-methyl-1-[2-(4-nitroindol-1-yl)acetyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)Cn2ccc3c([N+](=O)[O-])cccc32)CC1
InChIInChI=1S/C17H20N4O4/c1-18-17(23)12-5-8-19(9-6-12)16(22)11-20-10-7-13-14(20)3-2-4-15(13)21(24)25/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H,18,23)
InChIKeyWEWZZJOGAFJUHQ-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.53
Rot. Bonds4

About N-methyl-1-[2-(4-nitroindol-1-yl)acetyl]piperidine-4-carboxamide

N-methyl-1-[2-(4-nitroindol-1-yl)acetyl]piperidine-4-carboxamide (PubChem CID 75374008) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-methyl-1-[2-(4-nitroindol-1-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-(4-nitroindol-1-yl)acetyl]piperidine-4-carboxamide
PubChem CID75374008
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN-methyl-1-[2-(4-nitroindol-1-yl)acetyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)Cn2ccc3c([N+](=O)[O-])cccc32)CC1
InChIInChI=1S/C17H20N4O4/c1-18-17(23)12-5-8-19(9-6-12)16(22)11-20-10-7-13-14(20)3-2-4-15(13)21(24)25/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H,18,23)
InChIKeyWEWZZJOGAFJUHQ-UHFFFAOYSA-N
XLogP1.53
TPSA97.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
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

2-(4-nitroindol-1-yl)-1-(2-phenylmorpholin-4-yl)ethanone
CID 71827785
3-methyl-1-(4-nitroindol-1-yl)butan-2-one
CID 79396035
2-(4-nitroindol-1-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone
CID 124780833
N-(2-methylbutan-2-yl)-2-(4-nitroindol-1-yl)acetamide
CID 115635433
N-[3-(dimethylamino)propyl]-2-(4-nitroindol-1-yl)acetamide
CID 71827851
11-[2-(4-nitroindol-1-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 118985799
N-[3-(4-nitroindol-1-yl)propyl]acetamide
CID 75446448
1-[(2S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]-2-(4-nitroindol-1-yl)ethanone
CID 171152996
1-(4-methylpentyl)-4-nitroindole
CID 116623453
ethane;1-methyl-4-nitroindole
CID 143310904
N-[1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-4-yl]acetamide
CID 71828394
ethyl 4-[2-(4-chloroindol-1-yl)acetyl]piperazine-1-carboxylate
CID 39313356

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-nitroindol-1-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[2-(4-nitroindol-1-yl)acetyl]piperidine-4-carboxamide (CID 75374008) is N-methyl-1-[2-(4-nitroindol-1-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[2-(4-nitroindol-1-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[2-(4-nitroindol-1-yl)acetyl]piperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)Cn2ccc3c([N+](=O)[O-])cccc32)CC1.
What is the InChIKey of N-methyl-1-[2-(4-nitroindol-1-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is WEWZZJOGAFJUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-18-17(23)12-5-8-19(9-6-12)16(22)11-20-10-7-13-14(20)3-2-4-15(13)21(24)25/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H,18,23).
What are the key properties of N-methyl-1-[2-(4-nitroindol-1-yl)acetyl]piperidine-4-carboxamide?
N-methyl-1-[2-(4-nitroindol-1-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-nitroindol-1-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 75374008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).