2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride

C20H33ClN2O2 — CID 119559244

IUPAC2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
SMILESCc1cc(OC(C)C(=O)NCCC2CCCNC2)ccc1C(C)C.Cl
InChIInChI=1S/C20H32N2O2.ClH/c1-14(2)19-8-7-18(12-15(19)3)24-16(4)20(23)22-11-9-17-6-5-10-21-13-17;/h7-8,12,14,16-17,21H,5-6,9-11,13H2,1-4H3,(H,22,23);1H
InChIKeyWFXJJYYWCHPGOE-UHFFFAOYSA-N
MW368.95 g/mol
LogP3.81
Rot. Bonds7

About 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride

2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride (PubChem CID 119559244) has the molecular formula C20H33ClN2O2 and a molecular weight of 368.95 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
PubChem CID119559244
Molecular FormulaC20H33ClN2O2
Molecular Weight368.95 g/mol
Exact Mass368.22
IUPAC Name2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
SMILESCc1cc(OC(C)C(=O)NCCC2CCCNC2)ccc1C(C)C.Cl
InChIInChI=1S/C20H32N2O2.ClH/c1-14(2)19-8-7-18(12-15(19)3)24-16(4)20(23)22-11-9-17-6-5-10-21-13-17;/h7-8,12,14,16-17,21H,5-6,9-11,13H2,1-4H3,(H,22,23);1H
InChIKeyWFXJJYYWCHPGOE-UHFFFAOYSA-N
XLogP3.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.95
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119556344
2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119454077
(3S)-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperidine
CID 86321569
2-(5-methyl-2-propan-2-ylphenoxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119463702
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119534233
2-(2-methyl-5-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119537381
N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119504142
N-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide
CID 55805598
N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 119385381
2-(4-methoxyphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555109
2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555477
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
The IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride (CID 119559244) is 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride is Cc1cc(OC(C)C(=O)NCCC2CCCNC2)ccc1C(C)C.Cl.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
The InChIKey is WFXJJYYWCHPGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2.ClH/c1-14(2)19-8-7-18(12-15(19)3)24-16(4)20(23)22-11-9-17-6-5-10-21-13-17;/h7-8,12,14,16-17,21H,5-6,9-11,13H2,1-4H3,(H,22,23);1H.
What are the key properties of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride has a molecular weight of 368.95 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119559244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).