4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-nitrobenzamide

C14H19N3O4 — CID 60677769

IUPAC4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-nitrobenzamide
SMILESNC(=O)c1ccc(N2CCCCC2CCO)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O4/c15-14(19)10-4-5-12(13(9-10)17(20)21)16-7-2-1-3-11(16)6-8-18/h4-5,9,11,18H,1-3,6-8H2,(H2,15,19)
InChIKeyGJMBDBXDZKVTEB-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.43
Rot. Bonds5

About 4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-nitrobenzamide

4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-nitrobenzamide (PubChem CID 60677769) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-nitrobenzamide
PubChem CID60677769
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-nitrobenzamide
SMILESNC(=O)c1ccc(N2CCCCC2CCO)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O4/c15-14(19)10-4-5-12(13(9-10)17(20)21)16-7-2-1-3-11(16)6-8-18/h4-5,9,11,18H,1-3,6-8H2,(H2,15,19)
InChIKeyGJMBDBXDZKVTEB-UHFFFAOYSA-N
XLogP1.43
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.43
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

4-[2-(hydroxymethyl)piperidin-1-yl]-3-nitrobenzamide
CID 60631710
2-[1-(4-chloro-2-nitrophenyl)piperidin-2-yl]ethanol
CID 60677657
3-[1-(4-methylsulfonyl-2-nitrophenyl)piperidin-2-yl]propan-1-ol
CID 163219842
5-[2-(2-hydroxyethyl)piperidin-1-yl]-2-nitrobenzonitrile
CID 115500609
2-[1-(3-amino-2-nitrophenyl)piperidin-2-yl]ethanol
CID 80767784
4-[(3aR,7aR)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-3-nitrobenzamide
CID 124856062
3-[2-(1-aminoethyl)piperidin-1-yl]-4-nitrobenzamide
CID 82992157
1-[4-[2-(methylsulfanylmethyl)pyrrolidin-1-yl]-3-nitrophenyl]ethanone
CID 133377343
[4-[(3S)-3-(2-hydroxyethyl)morpholin-4-yl]-3-nitrophenyl]-phenylmethanone
CID 97248149
[1-[4-(hydroxymethyl)-2-nitrophenyl]pyrrolidin-2-yl]methanol
CID 61411135
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-nitrobenzoic acid
CID 65320781
3-(2-ethylpiperidin-1-yl)-4-nitrobenzoic acid
CID 82784363

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-nitrobenzamide?
The IUPAC name of 4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-nitrobenzamide (CID 60677769) is 4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-nitrobenzamide.
What is the SMILES notation for 4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-nitrobenzamide?
The canonical SMILES for 4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-nitrobenzamide is NC(=O)c1ccc(N2CCCCC2CCO)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-nitrobenzamide?
The InChIKey is GJMBDBXDZKVTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c15-14(19)10-4-5-12(13(9-10)17(20)21)16-7-2-1-3-11(16)6-8-18/h4-5,9,11,18H,1-3,6-8H2,(H2,15,19).
What are the key properties of 4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-nitrobenzamide?
4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-nitrobenzamide has a molecular weight of 293.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-nitrobenzamide is sourced from PubChem (CID 60677769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).