N-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidine-4-carboxamide

C16H24N2O3 — CID 119304938

IUPACN-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidine-4-carboxamide
SMILESCc1cccc(OCC(O)CNC(=O)C2CCNCC2)c1
InChIInChI=1S/C16H24N2O3/c1-12-3-2-4-15(9-12)21-11-14(19)10-18-16(20)13-5-7-17-8-6-13/h2-4,9,13-14,17,19H,5-8,10-11H2,1H3,(H,18,20)
InChIKeyJSOCOUQOCCIDRL-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.85
Rot. Bonds6

About N-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidine-4-carboxamide

N-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidine-4-carboxamide (PubChem CID 119304938) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidine-4-carboxamide
PubChem CID119304938
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidine-4-carboxamide
SMILESCc1cccc(OCC(O)CNC(=O)C2CCNCC2)c1
InChIInChI=1S/C16H24N2O3/c1-12-3-2-4-15(9-12)21-11-14(19)10-18-16(20)13-5-7-17-8-6-13/h2-4,9,13-14,17,19H,5-8,10-11H2,1H3,(H,18,20)
InChIKeyJSOCOUQOCCIDRL-UHFFFAOYSA-N
XLogP0.85
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]cyclohexane-1-carboxamide
CID 119751617
N-[2-(3-methylphenoxy)butyl]piperidine-4-carboxamide
CID 119344253
N-[2-hydroxy-3-(3-methylphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 110904517
(Z)-3-cyclopropyl-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-2-enamide
CID 110912798
N-[2-hydroxy-2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
CID 110012074
2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110911248
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperidine-3-carboxamide
CID 119304982
(2S)-2-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,3-dimethylbutanamide
CID 119751623
N-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide
CID 94677836
1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904652
N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide
CID 94677837
1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904579

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidine-4-carboxamide (CID 119304938) is N-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidine-4-carboxamide is Cc1cccc(OCC(O)CNC(=O)C2CCNCC2)c1.
What is the InChIKey of N-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidine-4-carboxamide?
The InChIKey is JSOCOUQOCCIDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-3-2-4-15(9-12)21-11-14(19)10-18-16(20)13-5-7-17-8-6-13/h2-4,9,13-14,17,19H,5-8,10-11H2,1H3,(H,18,20).
What are the key properties of N-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidine-4-carboxamide?
N-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidine-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 119304938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).