4-(2-cyano-4-nitroanilino)piperidine-1-carboxamide

C13H15N5O3 — CID 43790302

IUPAC4-(2-cyano-4-nitroanilino)piperidine-1-carboxamide
SMILESN#Cc1cc([N+](=O)[O-])ccc1NC1CCN(C(N)=O)CC1
InChIInChI=1S/C13H15N5O3/c14-8-9-7-11(18(20)21)1-2-12(9)16-10-3-5-17(6-4-10)13(15)19/h1-2,7,10,16H,3-6H2,(H2,15,19)
InChIKeyFHTNNHZJOHFPMN-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.42
Rot. Bonds3

About 4-(2-cyano-4-nitroanilino)piperidine-1-carboxamide

4-(2-cyano-4-nitroanilino)piperidine-1-carboxamide (PubChem CID 43790302) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-(2-cyano-4-nitroanilino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-cyano-4-nitroanilino)piperidine-1-carboxamide
PubChem CID43790302
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name4-(2-cyano-4-nitroanilino)piperidine-1-carboxamide
SMILESN#Cc1cc([N+](=O)[O-])ccc1NC1CCN(C(N)=O)CC1
InChIInChI=1S/C13H15N5O3/c14-8-9-7-11(18(20)21)1-2-12(9)16-10-3-5-17(6-4-10)13(15)19/h1-2,7,10,16H,3-6H2,(H2,15,19)
InChIKeyFHTNNHZJOHFPMN-UHFFFAOYSA-N
XLogP1.42
TPSA125.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.42
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-[(1-acetylpiperidin-4-yl)amino]-5-nitrobenzonitrile
CID 39967639
4-(2-cyano-4-nitroanilino)cyclohexane-1-carboxamide
CID 60725680
2-[(1-cyclopropylpyrrolidin-3-yl)amino]-5-nitrobenzonitrile
CID 47807763
methyl 3-(2-cyano-4-nitroanilino)azetidine-1-carboxylate
CID 133385681
methyl 3-(2-cyano-4-nitroanilino)piperidine-1-carboxylate
CID 133275695
2-[(3-aminocyclopentyl)amino]-5-nitrobenzonitrile
CID 79462010
4-(5-methyl-2-nitroanilino)piperidine-1-carboxamide
CID 115912396
2-(cyclopropylamino)-4-nitrobenzonitrile
CID 171316320
2-[(1-ethylpiperidin-3-yl)amino]-5-nitrobenzonitrile
CID 61171760
[4-(2-methoxy-4-nitroanilino)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 5131579
4-[(3-nitrophenyl)methylamino]piperidine-1-carboxamide
CID 62505759
2-[4-(4-bromo-2-cyanoanilino)piperidin-1-yl]acetamide
CID 75454004

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyano-4-nitroanilino)piperidine-1-carboxamide?
The IUPAC name of 4-(2-cyano-4-nitroanilino)piperidine-1-carboxamide (CID 43790302) is 4-(2-cyano-4-nitroanilino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-cyano-4-nitroanilino)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-cyano-4-nitroanilino)piperidine-1-carboxamide is N#Cc1cc([N+](=O)[O-])ccc1NC1CCN(C(N)=O)CC1.
What is the InChIKey of 4-(2-cyano-4-nitroanilino)piperidine-1-carboxamide?
The InChIKey is FHTNNHZJOHFPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c14-8-9-7-11(18(20)21)1-2-12(9)16-10-3-5-17(6-4-10)13(15)19/h1-2,7,10,16H,3-6H2,(H2,15,19).
What are the key properties of 4-(2-cyano-4-nitroanilino)piperidine-1-carboxamide?
4-(2-cyano-4-nitroanilino)piperidine-1-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyano-4-nitroanilino)piperidine-1-carboxamide is sourced from PubChem (CID 43790302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).