4-(methoxymethyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-4-carboxamide

C19H30N2O3 — CID 120632708

IUPAC4-(methoxymethyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCCOc2ccccc2C(C)C)CCNCC1
InChIInChI=1S/C19H30N2O3/c1-15(2)16-6-4-5-7-17(16)24-13-12-21-18(22)19(14-23-3)8-10-20-11-9-19/h4-7,15,20H,8-14H2,1-3H3,(H,21,22)
InChIKeyKBEDDIBQZOKPLM-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.32
Rot. Bonds8

About 4-(methoxymethyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-4-carboxamide

4-(methoxymethyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-4-carboxamide (PubChem CID 120632708) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-4-carboxamide
PubChem CID120632708
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name4-(methoxymethyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCCOc2ccccc2C(C)C)CCNCC1
InChIInChI=1S/C19H30N2O3/c1-15(2)16-6-4-5-7-17(16)24-13-12-21-18(22)19(14-23-3)8-10-20-11-9-19/h4-7,15,20H,8-14H2,1-3H3,(H,21,22)
InChIKeyKBEDDIBQZOKPLM-UHFFFAOYSA-N
XLogP2.32
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(methoxymethyl)-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide
CID 120626270
4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617692
N-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120623806
N-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120623811
4-(methoxymethyl)-N-[[2-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide
CID 120624410
4-(methoxymethyl)-N-[2-(2-methoxyphenoxy)propyl]piperidine-4-carboxamide
CID 120636259
3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride
CID 119784406
4-(methoxymethyl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
CID 106391030
N-[2-(2-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120636265
4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 120639875
N-(2-ethoxyethyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620372
4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide;dihydrochloride
CID 120639874

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-4-carboxamide (CID 120632708) is 4-(methoxymethyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-4-carboxamide is COCC1(C(=O)NCCOc2ccccc2C(C)C)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-4-carboxamide?
The InChIKey is KBEDDIBQZOKPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-15(2)16-6-4-5-7-17(16)24-13-12-21-18(22)19(14-23-3)8-10-20-11-9-19/h4-7,15,20H,8-14H2,1-3H3,(H,21,22).
What are the key properties of 4-(methoxymethyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-4-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 120632708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).