1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide

C15H20N4O4 — CID 2553321

IUPAC1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1c(NC(=O)CN2CCC(C(N)=O)CC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N4O4/c1-10-12(3-2-4-13(10)19(22)23)17-14(20)9-18-7-5-11(6-8-18)15(16)21/h2-4,11H,5-9H2,1H3,(H2,16,21)(H,17,20)
InChIKeyRURRHWMAWPABGJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.04
Rot. Bonds5

About 1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide

1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 2553321) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID2553321
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1c(NC(=O)CN2CCC(C(N)=O)CC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N4O4/c1-10-12(3-2-4-13(10)19(22)23)17-14(20)9-18-7-5-11(6-8-18)15(16)21/h2-4,11H,5-9H2,1H3,(H2,16,21)(H,17,20)
InChIKeyRURRHWMAWPABGJ-UHFFFAOYSA-N
XLogP1.04
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.04
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

2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((2-nitrophenyl)methyl)amino)-
CID 454351
N-benzyl-N'-(3-nitrophenyl)butanediamide
CID 971302
1-ethylsulfonyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 2204286
2-(azepan-1-yl)-N-(4-methyl-3-nitrophenyl)acetamide
CID 2461963
2-(3-nitroanilino)-N-(3-phenylpropyl)acetamide
CID 9327204
4-(Butylamino)-1-methyl-3-nitroquinolin-2-one
CID 2877741
N-(4-butylphenyl)-N'-{2-[4-(4-nitrobenzyl)piperazin-1-yl]ethyl}ethanediamide
CID 4692200
N-(2-Methyl-5-nitro-phenyl)-2-(4-methyl-piperidin-1-yl)-acetamide
CID 783092
N-(2-methyl-5-nitrophenyl)-1-(methylsulfonyl)-4-piperidinecarboxamide
CID 970760
2-(4-methyl-1-piperidinyl)-N-(3-nitrophenyl)acetamide
CID 973114
(2S)-2-(carbamoylamino)-3-methyl-N-(3-nitrophenyl)butanamide
CID 2129380
N-(3-nitrophenyl)-2-oxo-2-(1-piperidinyl)acetamide
CID 2193983

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 2553321) is 1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide is Cc1c(NC(=O)CN2CCC(C(N)=O)CC2)cccc1[N+](=O)[O-].
What is the InChIKey of 1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is RURRHWMAWPABGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-10-12(3-2-4-13(10)19(22)23)17-14(20)9-18-7-5-11(6-8-18)15(16)21/h2-4,11H,5-9H2,1H3,(H2,16,21)(H,17,20).
What are the key properties of 1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide?
1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 2553321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).