N-(4-hydroxy-2,5-dimethylphenyl)-3-propylpiperidine-3-carboxamide

C17H26N2O2 — CID 106954421

IUPACN-(4-hydroxy-2,5-dimethylphenyl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2cc(C)c(O)cc2C)CCCNC1
InChIInChI=1S/C17H26N2O2/c1-4-6-17(7-5-8-18-11-17)16(21)19-14-9-13(3)15(20)10-12(14)2/h9-10,18,20H,4-8,11H2,1-3H3,(H,19,21)
InChIKeyIRNDGXMCKXFVOT-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.12
Rot. Bonds4

About N-(4-hydroxy-2,5-dimethylphenyl)-3-propylpiperidine-3-carboxamide

N-(4-hydroxy-2,5-dimethylphenyl)-3-propylpiperidine-3-carboxamide (PubChem CID 106954421) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(4-hydroxy-2,5-dimethylphenyl)-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,5-dimethylphenyl)-3-propylpiperidine-3-carboxamide
PubChem CID106954421
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(4-hydroxy-2,5-dimethylphenyl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2cc(C)c(O)cc2C)CCCNC1
InChIInChI=1S/C17H26N2O2/c1-4-6-17(7-5-8-18-11-17)16(21)19-14-9-13(3)15(20)10-12(14)2/h9-10,18,20H,4-8,11H2,1-3H3,(H,19,21)
InChIKeyIRNDGXMCKXFVOT-UHFFFAOYSA-N
XLogP3.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide
CID 81287911
3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 63132688
N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide
CID 107625392
N-(2,3-dichlorophenyl)-3-propylpiperidine-3-carboxamide
CID 63132539
3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 63140733
N-(2-ethoxyphenyl)-3-propylpiperidine-3-carboxamide
CID 63132468
N-(2-nitrophenyl)-3-propylpiperidine-3-carboxamide
CID 63130967
1-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 106954286
N-(1-benzothiophen-5-yl)-3-propylpiperidine-3-carboxamide
CID 63130559
3-ethyl-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide
CID 63130701
3-ethyl-N-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide
CID 63132813
N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63132092

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-3-propylpiperidine-3-carboxamide (CID 106954421) is N-(4-hydroxy-2,5-dimethylphenyl)-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,5-dimethylphenyl)-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,5-dimethylphenyl)-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)Nc2cc(C)c(O)cc2C)CCCNC1.
What is the InChIKey of N-(4-hydroxy-2,5-dimethylphenyl)-3-propylpiperidine-3-carboxamide?
The InChIKey is IRNDGXMCKXFVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-6-17(7-5-8-18-11-17)16(21)19-14-9-13(3)15(20)10-12(14)2/h9-10,18,20H,4-8,11H2,1-3H3,(H,19,21).
What are the key properties of N-(4-hydroxy-2,5-dimethylphenyl)-3-propylpiperidine-3-carboxamide?
N-(4-hydroxy-2,5-dimethylphenyl)-3-propylpiperidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,5-dimethylphenyl)-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 106954421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).