N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(3-nitrophenyl)acetamide

C16H23N3O4 — CID 111463003

IUPACN-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(3-nitrophenyl)acetamide
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)NCCCN1CCC(O)CC1
InChIInChI=1S/C16H23N3O4/c20-15-5-9-18(10-6-15)8-2-7-17-16(21)12-13-3-1-4-14(11-13)19(22)23/h1,3-4,11,15,20H,2,5-10,12H2,(H,17,21)
InChIKeyQVHKTOIGNAYJCQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.10
Rot. Bonds7

About N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(3-nitrophenyl)acetamide

N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(3-nitrophenyl)acetamide (PubChem CID 111463003) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(3-nitrophenyl)acetamide
PubChem CID111463003
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(3-nitrophenyl)acetamide
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)NCCCN1CCC(O)CC1
InChIInChI=1S/C16H23N3O4/c20-15-5-9-18(10-6-15)8-2-7-17-16(21)12-13-3-1-4-14(11-13)19(22)23/h1,3-4,11,15,20H,2,5-10,12H2,(H,17,21)
InChIKeyQVHKTOIGNAYJCQ-UHFFFAOYSA-N
XLogP1.10
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-nitrobenzamide
CID 111429688
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-1-ylacetamide
CID 111429650
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 111429533
N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 113265632
2-(3-hydroxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 62992551
N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119507081
1-(3-nitrophenyl)-3-(3-piperidin-1-ylpropyl)urea
CID 24626894
N-(4-morpholin-4-ylbutyl)-3-nitrobenzamide
CID 47041854
N-[2-(2-methoxyethylamino)ethyl]-2-(3-nitrophenyl)acetamide
CID 115878782
2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 115736889
1-cyclopropyl-2-(3-nitrophenyl)ethanone
CID 147564014
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(3-nitrophenyl)ethanone
CID 111487194

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(3-nitrophenyl)acetamide?
The IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(3-nitrophenyl)acetamide (CID 111463003) is N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(3-nitrophenyl)acetamide?
The canonical SMILES for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(3-nitrophenyl)acetamide is O=C(Cc1cccc([N+](=O)[O-])c1)NCCCN1CCC(O)CC1.
What is the InChIKey of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(3-nitrophenyl)acetamide?
The InChIKey is QVHKTOIGNAYJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c20-15-5-9-18(10-6-15)8-2-7-17-16(21)12-13-3-1-4-14(11-13)19(22)23/h1,3-4,11,15,20H,2,5-10,12H2,(H,17,21).
What are the key properties of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(3-nitrophenyl)acetamide?
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(3-nitrophenyl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 111463003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).