(3R)-1-(4-nitrophenyl)piperidine-3-carboxamide

C12H15N3O3 — CID 33114657

IUPAC(3R)-1-(4-nitrophenyl)piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C12H15N3O3/c13-12(16)9-2-1-7-14(8-9)10-3-5-11(6-4-10)15(17)18/h3-6,9H,1-2,7-8H2,(H2,13,16)/t9-/m1/s1
InChIKeyNTSDGPDBGJEXNA-SECBINFHSA-N
MW249.27 g/mol
LogP1.30
Rot. Bonds3

About (3R)-1-(4-nitrophenyl)piperidine-3-carboxamide

(3R)-1-(4-nitrophenyl)piperidine-3-carboxamide (PubChem CID 33114657) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is (3R)-1-(4-nitrophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-nitrophenyl)piperidine-3-carboxamide
PubChem CID33114657
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name(3R)-1-(4-nitrophenyl)piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C12H15N3O3/c13-12(16)9-2-1-7-14(8-9)10-3-5-11(6-4-10)15(17)18/h3-6,9H,1-2,7-8H2,(H2,13,16)/t9-/m1/s1
InChIKeyNTSDGPDBGJEXNA-SECBINFHSA-N
XLogP1.30
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(4-nitrophenyl)piperidine-3-carbohydrazide
CID 100618626
1-(2-formyl-4-nitrophenyl)piperidine-3-carboxamide
CID 43083193
(3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
CID 30994170
5-(3-carbamoylpiperidin-1-yl)-2-nitrobenzoic acid
CID 43176699
1-(4-nitrophenyl)pyrrolidine-3-carboxylic acid
CID 63032721
1-(3-acetyl-4-nitrophenyl)piperidine-3-carboxamide
CID 104613470
1-(4-nitrophenyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133331690
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
(3R)-3-methyl-1-(4-nitrophenyl)piperidine
CID 7212381
1-[1-(4-nitrophenyl)piperidin-4-yl]piperidine-4-carboxamide
CID 172592234
(2S)-4-(4-nitrophenyl)morpholine-2-carboxamide
CID 94375145
(3R)-1-[(4-nitrophenyl)carbamothioyl]piperidine-3-carboxamide
CID 8628913

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-nitrophenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-nitrophenyl)piperidine-3-carboxamide (CID 33114657) is (3R)-1-(4-nitrophenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-nitrophenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-nitrophenyl)piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of (3R)-1-(4-nitrophenyl)piperidine-3-carboxamide?
The InChIKey is NTSDGPDBGJEXNA-SECBINFHSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-12(16)9-2-1-7-14(8-9)10-3-5-11(6-4-10)15(17)18/h3-6,9H,1-2,7-8H2,(H2,13,16)/t9-/m1/s1.
What are the key properties of (3R)-1-(4-nitrophenyl)piperidine-3-carboxamide?
(3R)-1-(4-nitrophenyl)piperidine-3-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-nitrophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 33114657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).