(3R)-N-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide

C14H19N3O3 — CID 81140879

IUPAC(3R)-N-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCNC1
InChIInChI=1S/C14H19N3O3/c18-14(12-2-1-8-15-10-12)16-9-7-11-3-5-13(6-4-11)17(19)20/h3-6,12,15H,1-2,7-10H2,(H,16,18)/t12-/m1/s1
InChIKeyJYOFKXDERHIUDN-GFCCVEGCSA-N
MW277.32 g/mol
LogP1.25
Rot. Bonds5

About (3R)-N-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide

(3R)-N-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide (PubChem CID 81140879) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3R)-N-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide
PubChem CID81140879
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(3R)-N-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCNC1
InChIInChI=1S/C14H19N3O3/c18-14(12-2-1-8-15-10-12)16-9-7-11-3-5-13(6-4-11)17(19)20/h3-6,12,15H,1-2,7-10H2,(H,16,18)/t12-/m1/s1
InChIKeyJYOFKXDERHIUDN-GFCCVEGCSA-N
XLogP1.25
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.25
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

N-[2-(4-nitrophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119745885
N-[(4-nitrophenyl)methyl]piperidine-3-carboxamide
CID 60876167
N-[2-(4-hydroxyphenyl)ethyl]piperidine-3-carboxamide
CID 61238567
N-[(4-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 63006821
N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 110482448
4-[2-(4-nitrophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673048
(3S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]piperidine-3-carboxamide
CID 81133526
(3R)-N-(2-thiophen-3-ylethyl)piperidine-3-carboxamide
CID 81140487
N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide
CID 119752401
N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 43566290
(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 28807337
N-[2-(4-nitrophenyl)ethyl]oxolane-2-carboxamide
CID 110294429

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide (CID 81140879) is (3R)-N-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide is O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is JYOFKXDERHIUDN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-14(12-2-1-8-15-10-12)16-9-7-11-3-5-13(6-4-11)17(19)20/h3-6,12,15H,1-2,7-10H2,(H,16,18)/t12-/m1/s1.
What are the key properties of (3R)-N-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide?
(3R)-N-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 81140879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).