4-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride

C21H27ClN2O3 — CID 120617162

IUPAC4-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CCNCC1.Cl
InChIInChI=1S/C21H26N2O3.ClH/c1-16-4-3-5-19(14-16)26-18-8-6-17(7-9-18)23-20(24)21(15-25-2)10-12-22-13-11-21;/h3-9,14,22H,10-13,15H2,1-2H3,(H,23,24);1H
InChIKeyOXRPYWHMKSFKCX-UHFFFAOYSA-N
MW390.91 g/mol
LogP4.16
Rot. Bonds6

About 4-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride

4-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120617162) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120617162
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC Name4-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CCNCC1.Cl
InChIInChI=1S/C21H26N2O3.ClH/c1-16-4-3-5-19(14-16)26-18-8-6-17(7-9-18)23-20(24)21(15-25-2)10-12-22-13-11-21;/h3-9,14,22H,10-13,15H2,1-2H3,(H,23,24);1H
InChIKeyOXRPYWHMKSFKCX-UHFFFAOYSA-N
XLogP4.16
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617171
4-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide
CID 120626064
4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120638200
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
4-(methoxymethyl)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide;hydrochloride
CID 120631273
N-(3,5-dimethoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616476
[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate
CID 175264615
4-(methoxymethyl)-N-[3-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619753
ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride
CID 120616304
N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120622758
N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266283
N-(4-butan-2-yloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624362

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride (CID 120617162) is 4-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CCNCC1.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is OXRPYWHMKSFKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3.ClH/c1-16-4-3-5-19(14-16)26-18-8-6-17(7-9-18)23-20(24)21(15-25-2)10-12-22-13-11-21;/h3-9,14,22H,10-13,15H2,1-2H3,(H,23,24);1H.
What are the key properties of 4-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
4-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 390.91 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120617162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).