3,5-dimethyl-N-[(4-methylphenoxy)methyl]piperidine-1-carboxamide

C16H24N2O2 — CID 108892936

IUPAC3,5-dimethyl-N-[(4-methylphenoxy)methyl]piperidine-1-carboxamide
SMILESCc1ccc(OCNC(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-12-4-6-15(7-5-12)20-11-17-16(19)18-9-13(2)8-14(3)10-18/h4-7,13-14H,8-11H2,1-3H3,(H,17,19)
InChIKeyAHHBXBGBWOQFFW-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.02
Rot. Bonds3

About 3,5-dimethyl-N-[(4-methylphenoxy)methyl]piperidine-1-carboxamide

3,5-dimethyl-N-[(4-methylphenoxy)methyl]piperidine-1-carboxamide (PubChem CID 108892936) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(4-methylphenoxy)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(4-methylphenoxy)methyl]piperidine-1-carboxamide
PubChem CID108892936
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3,5-dimethyl-N-[(4-methylphenoxy)methyl]piperidine-1-carboxamide
SMILESCc1ccc(OCNC(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-12-4-6-15(7-5-12)20-11-17-16(19)18-9-13(2)8-14(3)10-18/h4-7,13-14H,8-11H2,1-3H3,(H,17,19)
InChIKeyAHHBXBGBWOQFFW-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethoxyphenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108890746
N-[(4-chlorophenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108885205
4-(benzenesulfonyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide
CID 108893148
N-[2-(3,5-dimethylphenoxy)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 60577700
4-(2,3-dimethylphenyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride
CID 108893074
1-methyl-3-[(4-methylphenoxy)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 108892852
4-acetyl-N-(phenoxymethyl)piperazine-1-carboxamide
CID 108888799
1-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone;oxalic acid
CID 2910783
N-[2-(4-methylphenoxy)ethyl]azepane-1-carboxamide
CID 112970074
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
N-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide
CID 108881332
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 92731401

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(4-methylphenoxy)methyl]piperidine-1-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(4-methylphenoxy)methyl]piperidine-1-carboxamide (CID 108892936) is 3,5-dimethyl-N-[(4-methylphenoxy)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(4-methylphenoxy)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(4-methylphenoxy)methyl]piperidine-1-carboxamide is Cc1ccc(OCNC(=O)N2CC(C)CC(C)C2)cc1.
What is the InChIKey of 3,5-dimethyl-N-[(4-methylphenoxy)methyl]piperidine-1-carboxamide?
The InChIKey is AHHBXBGBWOQFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-4-6-15(7-5-12)20-11-17-16(19)18-9-13(2)8-14(3)10-18/h4-7,13-14H,8-11H2,1-3H3,(H,17,19).
What are the key properties of 3,5-dimethyl-N-[(4-methylphenoxy)methyl]piperidine-1-carboxamide?
3,5-dimethyl-N-[(4-methylphenoxy)methyl]piperidine-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(4-methylphenoxy)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 108892936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).