2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-nitrophenyl)propanamide

C15H21N3O4 — CID 60510193

IUPAC2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(CO)CC1
InChIInChI=1S/C15H21N3O4/c1-11(17-7-5-12(10-19)6-8-17)15(20)16-13-3-2-4-14(9-13)18(21)22/h2-4,9,11-12,19H,5-8,10H2,1H3,(H,16,20)
InChIKeyBFUSLIQCKUQGRC-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.63
Rot. Bonds5

About 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-nitrophenyl)propanamide

2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-nitrophenyl)propanamide (PubChem CID 60510193) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-nitrophenyl)propanamide
PubChem CID60510193
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(CO)CC1
InChIInChI=1S/C15H21N3O4/c1-11(17-7-5-12(10-19)6-8-17)15(20)16-13-3-2-4-14(9-13)18(21)22/h2-4,9,11-12,19H,5-8,10H2,1H3,(H,16,20)
InChIKeyBFUSLIQCKUQGRC-UHFFFAOYSA-N
XLogP1.63
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.63
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

2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(3-nitrophenyl)propanamide
CID 46563172
5-methyl-N-[1-[1-(3-nitroanilino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-2-carboxamide
CID 49448351
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(3-nitrophenyl)propanamide
CID 46807813
N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 60500653
2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)propanamide
CID 18284057
1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 35345514
N-(3-nitrophenyl)-2-(2-thia-9-azaspiro[4.5]decan-9-yl)propanamide
CID 136546440
N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 86918794
N-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 84868889
N-[(1-methylpiperidin-4-yl)methyl]-N'-(3-nitrophenyl)oxamide
CID 16886565
1-(3-nitrophenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea
CID 47085310
N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 95352627

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-nitrophenyl)propanamide?
The IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-nitrophenyl)propanamide (CID 60510193) is 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-nitrophenyl)propanamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-nitrophenyl)propanamide?
The canonical SMILES for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-nitrophenyl)propanamide is CC(C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(CO)CC1.
What is the InChIKey of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-nitrophenyl)propanamide?
The InChIKey is BFUSLIQCKUQGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-11(17-7-5-12(10-19)6-8-17)15(20)16-13-3-2-4-14(9-13)18(21)22/h2-4,9,11-12,19H,5-8,10H2,1H3,(H,16,20).
What are the key properties of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-nitrophenyl)propanamide?
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-nitrophenyl)propanamide has a molecular weight of 307.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-nitrophenyl)propanamide is sourced from PubChem (CID 60510193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).