(2R)-1-[(3-nitrophenyl)carbamoyl]piperidine-2-carboxylic acid

C13H15N3O5 — CID 29286120

IUPAC(2R)-1-[(3-nitrophenyl)carbamoyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H15N3O5/c17-12(18)11-6-1-2-7-15(11)13(19)14-9-4-3-5-10(8-9)16(20)21/h3-5,8,11H,1-2,6-7H2,(H,14,19)(H,17,18)/t11-/m1/s1
InChIKeyPNJBZRPABXPUGW-LLVKDONJSA-N
MW293.28 g/mol
LogP2.07
Rot. Bonds3

About (2R)-1-[(3-nitrophenyl)carbamoyl]piperidine-2-carboxylic acid

(2R)-1-[(3-nitrophenyl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 29286120) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is (2R)-1-[(3-nitrophenyl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(3-nitrophenyl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID29286120
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name(2R)-1-[(3-nitrophenyl)carbamoyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H15N3O5/c17-12(18)11-6-1-2-7-15(11)13(19)14-9-4-3-5-10(8-9)16(20)21/h3-5,8,11H,1-2,6-7H2,(H,14,19)(H,17,18)/t11-/m1/s1
InChIKeyPNJBZRPABXPUGW-LLVKDONJSA-N
XLogP2.07
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-N-cyclopropyl-1-N-(3-nitrophenyl)pyrrolidine-1,2-dicarboxamide
CID 78877015
4-[(3-nitrophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82902217
1-[(3-fluorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 54980760
(2R)-1-[(3-nitrophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923149
1-[(3-bromophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61191507
2-(3-hydroxypropyl)-N-(3-nitrophenyl)pyrrolidine-1-carboxamide
CID 62468286
N-(3-nitrophenyl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 75377424
(2S)-N-(3-nitrophenyl)-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 97257336
(2R)-N-(3-nitrophenyl)-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 97257335
N-(3-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 24626868
(2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 79034954
(2R)-1-[(3-sulfamoylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78923074

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3-nitrophenyl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(3-nitrophenyl)carbamoyl]piperidine-2-carboxylic acid (CID 29286120) is (2R)-1-[(3-nitrophenyl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(3-nitrophenyl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(3-nitrophenyl)carbamoyl]piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (2R)-1-[(3-nitrophenyl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is PNJBZRPABXPUGW-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15N3O5/c17-12(18)11-6-1-2-7-15(11)13(19)14-9-4-3-5-10(8-9)16(20)21/h3-5,8,11H,1-2,6-7H2,(H,14,19)(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-1-[(3-nitrophenyl)carbamoyl]piperidine-2-carboxylic acid?
(2R)-1-[(3-nitrophenyl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 293.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3-nitrophenyl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 29286120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).