1-[2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]piperidine-4-carboxamide

C16H23N3O5 — CID 2809886

IUPAC1-[2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]piperidine-4-carboxamide
SMILESCc1ccc(OCC(O)CN2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H23N3O5/c1-11-2-3-15(14(8-11)19(22)23)24-10-13(20)9-18-6-4-12(5-7-18)16(17)21/h2-3,8,12-13,20H,4-7,9-10H2,1H3,(H2,17,21)
InChIKeySKRBYZSAQPFRPY-UHFFFAOYSA-N
MW337.38 g/mol
LogP0.84
Rot. Bonds7

About 1-[2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]piperidine-4-carboxamide

1-[2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]piperidine-4-carboxamide (PubChem CID 2809886) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]piperidine-4-carboxamide
PubChem CID2809886
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name1-[2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]piperidine-4-carboxamide
SMILESCc1ccc(OCC(O)CN2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H23N3O5/c1-11-2-3-15(14(8-11)19(22)23)24-10-13(20)9-18-6-4-12(5-7-18)16(17)21/h2-3,8,12-13,20H,4-7,9-10H2,1H3,(H2,17,21)
InChIKeySKRBYZSAQPFRPY-UHFFFAOYSA-N
XLogP0.84
TPSA118.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1-[(2R)-2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]piperidin-1-ium-4-carboxamide
CID 6926944
1-[[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-4-methoxyphenyl]methyl]piperidine-4-carboxamide
CID 97278013
cyclopropyl-[4-[(2S)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 52533613
ethyl 4-[(2S)-2-hydroxy-3-(2-nitrophenoxy)propyl]piperazine-1-carboxylate
CID 7058825
1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide
CID 6926891
1-(2-methyl-5-nitrophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 109415985
ethyl 1-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperidine-4-carboxylate
CID 3409235
2-(4-methyl-2-nitrophenoxy)acetamide
CID 8538614
N-[1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide
CID 110910642
methyl 1-[2-(4-methyl-2-nitrophenoxy)acetyl]piperidine-4-carboxylate
CID 8561350
ethyl 2-[2-[3-[4-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]piperidin-1-yl]-2-hydroxypropoxy]-6-nitrophenyl]acetate
CID 57321609
1-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperidine-4-carboxamide
CID 2520625

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]piperidine-4-carboxamide (CID 2809886) is 1-[2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]piperidine-4-carboxamide is Cc1ccc(OCC(O)CN2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-[2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]piperidine-4-carboxamide?
The InChIKey is SKRBYZSAQPFRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-11-2-3-15(14(8-11)19(22)23)24-10-13(20)9-18-6-4-12(5-7-18)16(17)21/h2-3,8,12-13,20H,4-7,9-10H2,1H3,(H2,17,21).
What are the key properties of 1-[2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]piperidine-4-carboxamide?
1-[2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]piperidine-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 2809886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).