2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)propanamide

C14H19N3O4 — CID 18284057

IUPAC2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(O)CC1
InChIInChI=1S/C14H19N3O4/c1-10(16-8-6-13(18)7-9-16)14(19)15-11-2-4-12(5-3-11)17(20)21/h2-5,10,13,18H,6-9H2,1H3,(H,15,19)
InChIKeyHDUWDPYOGMAHTQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.38
Rot. Bonds4

About 2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)propanamide

2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)propanamide (PubChem CID 18284057) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)propanamide
PubChem CID18284057
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(O)CC1
InChIInChI=1S/C14H19N3O4/c1-10(16-8-6-13(18)7-9-16)14(19)15-11-2-4-12(5-3-11)17(20)21/h2-5,10,13,18H,6-9H2,1H3,(H,15,19)
InChIKeyHDUWDPYOGMAHTQ-UHFFFAOYSA-N
XLogP1.38
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.38
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

(2S)-2-[4-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]-1,4-diazepan-1-yl]-N-(4-nitrophenyl)propanamide
CID 26008277
(2R)-N-(4-nitrophenyl)-2-piperidin-1-ylpropanamide
CID 7431081
N-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide
CID 46801980
N-(4-bromophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 3957951
(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-nitrophenyl)propanamide
CID 25401165
(2S)-2-(1,1-dioxo-1,4-thiazepan-4-yl)-N-(4-nitrophenyl)propanamide
CID 95334760
(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
(2R)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27172955
2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide
CID 18588520
N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111332533
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-nitrophenyl)propanamide
CID 60510193

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)propanamide?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)propanamide (CID 18284057) is 2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)propanamide.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)propanamide?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)propanamide is CC(C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(O)CC1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)propanamide?
The InChIKey is HDUWDPYOGMAHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-10(16-8-6-13(18)7-9-16)14(19)15-11-2-4-12(5-3-11)17(20)21/h2-5,10,13,18H,6-9H2,1H3,(H,15,19).
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)propanamide?
2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)propanamide has a molecular weight of 293.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)propanamide is sourced from PubChem (CID 18284057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).