(2R)-N-(4-nitrophenyl)-2-piperidin-1-ylpropanamide

C14H19N3O3 — CID 7431081

IUPAC(2R)-N-(4-nitrophenyl)-2-piperidin-1-ylpropanamide
SMILESC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCCC1
InChIInChI=1S/C14H19N3O3/c1-11(16-9-3-2-4-10-16)14(18)15-12-5-7-13(8-6-12)17(19)20/h5-8,11H,2-4,9-10H2,1H3,(H,15,18)/t11-/m1/s1
InChIKeyIBNGLYWJFDWJFD-LLVKDONJSA-N
MW277.32 g/mol
LogP2.41
Rot. Bonds4

About (2R)-N-(4-nitrophenyl)-2-piperidin-1-ylpropanamide

(2R)-N-(4-nitrophenyl)-2-piperidin-1-ylpropanamide (PubChem CID 7431081) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2R)-N-(4-nitrophenyl)-2-piperidin-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-nitrophenyl)-2-piperidin-1-ylpropanamide
PubChem CID7431081
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(2R)-N-(4-nitrophenyl)-2-piperidin-1-ylpropanamide
SMILESC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCCC1
InChIInChI=1S/C14H19N3O3/c1-11(16-9-3-2-4-10-16)14(18)15-12-5-7-13(8-6-12)17(19)20/h5-8,11H,2-4,9-10H2,1H3,(H,15,18)/t11-/m1/s1
InChIKeyIBNGLYWJFDWJFD-LLVKDONJSA-N
XLogP2.41
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
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

(2S)-2-[4-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]-1,4-diazepan-1-yl]-N-(4-nitrophenyl)propanamide
CID 26008277
(2S)-2-(1,1-dioxo-1,4-thiazepan-4-yl)-N-(4-nitrophenyl)propanamide
CID 95334760
2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)propanamide
CID 18284057
(2S)-N-(4-nitrophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanamide
CID 100851157
(2R)-N-(4-nitrophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanamide
CID 100851158
N-(4-bromophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 3957951
(2R)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(4-nitrophenyl)propanamide
CID 25445582
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-nitrophenyl)propanamide
CID 25401165
(2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 2655382
2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 43183653
(2R)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27172955

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-nitrophenyl)-2-piperidin-1-ylpropanamide?
The IUPAC name of (2R)-N-(4-nitrophenyl)-2-piperidin-1-ylpropanamide (CID 7431081) is (2R)-N-(4-nitrophenyl)-2-piperidin-1-ylpropanamide.
What is the SMILES notation for (2R)-N-(4-nitrophenyl)-2-piperidin-1-ylpropanamide?
The canonical SMILES for (2R)-N-(4-nitrophenyl)-2-piperidin-1-ylpropanamide is C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCCC1.
What is the InChIKey of (2R)-N-(4-nitrophenyl)-2-piperidin-1-ylpropanamide?
The InChIKey is IBNGLYWJFDWJFD-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-11(16-9-3-2-4-10-16)14(18)15-12-5-7-13(8-6-12)17(19)20/h5-8,11H,2-4,9-10H2,1H3,(H,15,18)/t11-/m1/s1.
What are the key properties of (2R)-N-(4-nitrophenyl)-2-piperidin-1-ylpropanamide?
(2R)-N-(4-nitrophenyl)-2-piperidin-1-ylpropanamide has a molecular weight of 277.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-nitrophenyl)-2-piperidin-1-ylpropanamide is sourced from PubChem (CID 7431081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).