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

C17H26N2O2 — CID 119344253

IUPACN-[2-(3-methylphenoxy)butyl]piperidine-4-carboxamide
SMILESCCC(CNC(=O)C1CCNCC1)Oc1cccc(C)c1
InChIInChI=1S/C17H26N2O2/c1-3-15(21-16-6-4-5-13(2)11-16)12-19-17(20)14-7-9-18-10-8-14/h4-6,11,14-15,18H,3,7-10,12H2,1-2H3,(H,19,20)
InChIKeyJJISAHRWYMBKCJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.27
Rot. Bonds6

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

N-[2-(3-methylphenoxy)butyl]piperidine-4-carboxamide (PubChem CID 119344253) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)butyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)butyl]piperidine-4-carboxamide
PubChem CID119344253
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[2-(3-methylphenoxy)butyl]piperidine-4-carboxamide
SMILESCCC(CNC(=O)C1CCNCC1)Oc1cccc(C)c1
InChIInChI=1S/C17H26N2O2/c1-3-15(21-16-6-4-5-13(2)11-16)12-19-17(20)14-7-9-18-10-8-14/h4-6,11,14-15,18H,3,7-10,12H2,1-2H3,(H,19,20)
InChIKeyJJISAHRWYMBKCJ-UHFFFAOYSA-N
XLogP2.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119148602
N-[2-(3-methylphenoxy)butyl]morpholine-2-carboxamide
CID 119819907
N-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidine-4-carboxamide
CID 119304938
N-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide
CID 119819909
N-[2-(3-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide
CID 119819887
N-[2-hydroxy-2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
CID 110012074
4-[2-(3-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673900
3-amino-2-methyl-N-[2-(3-methylphenoxy)butyl]butanamide
CID 120502281
(3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide
CID 97025727
N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266283
N-ethyl-2-(3-methylphenoxy)butan-1-amine
CID 54798641
N-(2-ethylbutyl)piperidine-4-carboxamide
CID 115733723

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)butyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(3-methylphenoxy)butyl]piperidine-4-carboxamide (CID 119344253) is N-[2-(3-methylphenoxy)butyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)butyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-methylphenoxy)butyl]piperidine-4-carboxamide is CCC(CNC(=O)C1CCNCC1)Oc1cccc(C)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)butyl]piperidine-4-carboxamide?
The InChIKey is JJISAHRWYMBKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-15(21-16-6-4-5-13(2)11-16)12-19-17(20)14-7-9-18-10-8-14/h4-6,11,14-15,18H,3,7-10,12H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(3-methylphenoxy)butyl]piperidine-4-carboxamide?
N-[2-(3-methylphenoxy)butyl]piperidine-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)butyl]piperidine-4-carboxamide is sourced from PubChem (CID 119344253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).