4-[(3-methylphenoxy)methyl]-N-propylpiperidine-1-carboxamide

C17H26N2O2 — CID 110638938

IUPAC4-[(3-methylphenoxy)methyl]-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(COc2cccc(C)c2)CC1
InChIInChI=1S/C17H26N2O2/c1-3-9-18-17(20)19-10-7-15(8-11-19)13-21-16-6-4-5-14(2)12-16/h4-6,12,15H,3,7-11,13H2,1-2H3,(H,18,20)
InChIKeyITFJJPZIMGTONU-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.21
Rot. Bonds5

About 4-[(3-methylphenoxy)methyl]-N-propylpiperidine-1-carboxamide

4-[(3-methylphenoxy)methyl]-N-propylpiperidine-1-carboxamide (PubChem CID 110638938) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[(3-methylphenoxy)methyl]-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-methylphenoxy)methyl]-N-propylpiperidine-1-carboxamide
PubChem CID110638938
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-[(3-methylphenoxy)methyl]-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(COc2cccc(C)c2)CC1
InChIInChI=1S/C17H26N2O2/c1-3-9-18-17(20)19-10-7-15(8-11-19)13-21-16-6-4-5-14(2)12-16/h4-6,12,15H,3,7-11,13H2,1-2H3,(H,18,20)
InChIKeyITFJJPZIMGTONU-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110638931
4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide
CID 112969940
2-[2-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110638923
ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110638519
1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone
CID 60664116
4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide
CID 80552356
4-(2-hydroxyphenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 38151158
[2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea
CID 95867203
2-(3-methylphenoxy)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 62659459
N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methylphenoxy)azetidine-1-carboxamide
CID 122556550
4-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 112969930
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenoxy)methyl]-N-propylpiperidine-1-carboxamide?
The IUPAC name of 4-[(3-methylphenoxy)methyl]-N-propylpiperidine-1-carboxamide (CID 110638938) is 4-[(3-methylphenoxy)methyl]-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(3-methylphenoxy)methyl]-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(3-methylphenoxy)methyl]-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCC(COc2cccc(C)c2)CC1.
What is the InChIKey of 4-[(3-methylphenoxy)methyl]-N-propylpiperidine-1-carboxamide?
The InChIKey is ITFJJPZIMGTONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-9-18-17(20)19-10-7-15(8-11-19)13-21-16-6-4-5-14(2)12-16/h4-6,12,15H,3,7-11,13H2,1-2H3,(H,18,20).
What are the key properties of 4-[(3-methylphenoxy)methyl]-N-propylpiperidine-1-carboxamide?
4-[(3-methylphenoxy)methyl]-N-propylpiperidine-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenoxy)methyl]-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 110638938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).