1-(2-nitrophenyl)-4-(propan-2-ylamino)piperidine-4-carboxamide

C15H22N4O3 — CID 71098367

IUPAC1-(2-nitrophenyl)-4-(propan-2-ylamino)piperidine-4-carboxamide
SMILESCC(C)NC1(C(N)=O)CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H22N4O3/c1-11(2)17-15(14(16)20)7-9-18(10-8-15)12-5-3-4-6-13(12)19(21)22/h3-6,11,17H,7-10H2,1-2H3,(H2,16,20)
InChIKeyRIPXOLUNKSVFFP-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.42
Rot. Bonds5

About 1-(2-nitrophenyl)-4-(propan-2-ylamino)piperidine-4-carboxamide

1-(2-nitrophenyl)-4-(propan-2-ylamino)piperidine-4-carboxamide (PubChem CID 71098367) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-4-(propan-2-ylamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-nitrophenyl)-4-(propan-2-ylamino)piperidine-4-carboxamide
PubChem CID71098367
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name1-(2-nitrophenyl)-4-(propan-2-ylamino)piperidine-4-carboxamide
SMILESCC(C)NC1(C(N)=O)CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H22N4O3/c1-11(2)17-15(14(16)20)7-9-18(10-8-15)12-5-3-4-6-13(12)19(21)22/h3-6,11,17H,7-10H2,1-2H3,(H2,16,20)
InChIKeyRIPXOLUNKSVFFP-UHFFFAOYSA-N
XLogP1.42
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
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

(2R)-2-amino-1-[4-(2-nitrophenyl)piperazin-1-yl]propan-1-one
CID 78973438
ethane;1-(2-nitrophenyl)piperidine
CID 177332919
(2S)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanoic acid
CID 94397062
2-chloro-1-[4-(2-nitrophenyl)piperazin-1-yl]propan-1-one
CID 43346839
2-[4-(2-nitrophenyl)piperazin-1-yl]propanenitrile
CID 60641587
N-[(2R)-3-methylbutan-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 40809904
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-nitrophenyl)piperazine-1-carboxamide
CID 55698823
[1-(2-nitrophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 27670338
methyl (2S)-3-methyl-2-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]butanoate
CID 60618921
ethane;1-methyl-4-(2-nitrophenyl)-1,4-diazepane
CID 91421096
2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 42998927
2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 24506735

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)-4-(propan-2-ylamino)piperidine-4-carboxamide?
The IUPAC name of 1-(2-nitrophenyl)-4-(propan-2-ylamino)piperidine-4-carboxamide (CID 71098367) is 1-(2-nitrophenyl)-4-(propan-2-ylamino)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-nitrophenyl)-4-(propan-2-ylamino)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-nitrophenyl)-4-(propan-2-ylamino)piperidine-4-carboxamide is CC(C)NC1(C(N)=O)CCN(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(2-nitrophenyl)-4-(propan-2-ylamino)piperidine-4-carboxamide?
The InChIKey is RIPXOLUNKSVFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-11(2)17-15(14(16)20)7-9-18(10-8-15)12-5-3-4-6-13(12)19(21)22/h3-6,11,17H,7-10H2,1-2H3,(H2,16,20).
What are the key properties of 1-(2-nitrophenyl)-4-(propan-2-ylamino)piperidine-4-carboxamide?
1-(2-nitrophenyl)-4-(propan-2-ylamino)piperidine-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-4-(propan-2-ylamino)piperidine-4-carboxamide is sourced from PubChem (CID 71098367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).