N-ethyl-4-[4-(methylcarbamoyl)-2-nitrophenyl]piperazine-1-carboxamide

C15H21N5O4 — CID 133367068

IUPACN-ethyl-4-[4-(methylcarbamoyl)-2-nitrophenyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H21N5O4/c1-3-17-15(22)19-8-6-18(7-9-19)12-5-4-11(14(21)16-2)10-13(12)20(23)24/h4-5,10H,3,6-9H2,1-2H3,(H,16,21)(H,17,22)
InChIKeyMEGGPRWRPQFUNT-UHFFFAOYSA-N
MW335.36 g/mol
LogP0.81
Rot. Bonds4

About N-ethyl-4-[4-(methylcarbamoyl)-2-nitrophenyl]piperazine-1-carboxamide

N-ethyl-4-[4-(methylcarbamoyl)-2-nitrophenyl]piperazine-1-carboxamide (PubChem CID 133367068) has the molecular formula C15H21N5O4 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-ethyl-4-[4-(methylcarbamoyl)-2-nitrophenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[4-(methylcarbamoyl)-2-nitrophenyl]piperazine-1-carboxamide
PubChem CID133367068
Molecular FormulaC15H21N5O4
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC NameN-ethyl-4-[4-(methylcarbamoyl)-2-nitrophenyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H21N5O4/c1-3-17-15(22)19-8-6-18(7-9-19)12-5-4-11(14(21)16-2)10-13(12)20(23)24/h4-5,10H,3,6-9H2,1-2H3,(H,16,21)(H,17,22)
InChIKeyMEGGPRWRPQFUNT-UHFFFAOYSA-N
XLogP0.81
TPSA107.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
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

N-ethyl-4-morpholin-4-yl-3-nitrobenzamide
CID 18162145
4-(4-hydroxypiperidin-1-yl)-N-methyl-3-nitrobenzamide
CID 47370355
4-[4-(cyclopropylamino)piperidin-1-yl]-N-methyl-3-nitrobenzamide
CID 133381220
4-(2-cyano-4-nitrophenyl)-N-ethylpiperazine-1-carboxamide
CID 78818906
4-(2,2-diethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-3-nitrobenzamide
CID 133496952
4-(4,4-dimethylazepan-1-yl)-N-methyl-3-nitrobenzamide
CID 133323339
4-(4-acetylpiperazin-1-yl)-N-(3-methylbutyl)-3-nitrobenzamide
CID 51192137
N-methyl-4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-3-nitrobenzamide
CID 133315501
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-3-nitrobenzamide
CID 78998954
4-(4-acetylpiperazin-1-yl)-N-[(4-methylphenyl)methyl]-3-nitrobenzamide
CID 25337561
4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-methyl-3-nitrobenzamide
CID 133272989
N-butyl-4-(4-chloro-2-nitrophenyl)piperazine-1-carboxamide
CID 41354036

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-(methylcarbamoyl)-2-nitrophenyl]piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-[4-(methylcarbamoyl)-2-nitrophenyl]piperazine-1-carboxamide (CID 133367068) is N-ethyl-4-[4-(methylcarbamoyl)-2-nitrophenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[4-(methylcarbamoyl)-2-nitrophenyl]piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[4-(methylcarbamoyl)-2-nitrophenyl]piperazine-1-carboxamide is CCNC(=O)N1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1.
What is the InChIKey of N-ethyl-4-[4-(methylcarbamoyl)-2-nitrophenyl]piperazine-1-carboxamide?
The InChIKey is MEGGPRWRPQFUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4/c1-3-17-15(22)19-8-6-18(7-9-19)12-5-4-11(14(21)16-2)10-13(12)20(23)24/h4-5,10H,3,6-9H2,1-2H3,(H,16,21)(H,17,22).
What are the key properties of N-ethyl-4-[4-(methylcarbamoyl)-2-nitrophenyl]piperazine-1-carboxamide?
N-ethyl-4-[4-(methylcarbamoyl)-2-nitrophenyl]piperazine-1-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-(methylcarbamoyl)-2-nitrophenyl]piperazine-1-carboxamide is sourced from PubChem (CID 133367068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).