2-(5-methyl-2-propan-2-ylphenoxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

C19H31ClN2O2 — CID 119463702

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)NCC2CCCNC2)c1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-13(2)17-8-7-14(3)10-18(17)23-15(4)19(22)21-12-16-6-5-9-20-11-16;/h7-8,10,13,15-16,20H,5-6,9,11-12H2,1-4H3,(H,21,22);1H
InChIKeyLULRMGGUSQQKNP-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.42
Rot. Bonds6

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

2-(5-methyl-2-propan-2-ylphenoxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (PubChem CID 119463702) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
PubChem CID119463702
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)NCC2CCCNC2)c1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-13(2)17-8-7-14(3)10-18(17)23-15(4)19(22)21-12-16-6-5-9-20-11-16;/h7-8,10,13,15-16,20H,5-6,9,11-12H2,1-4H3,(H,21,22);1H
InChIKeyLULRMGGUSQQKNP-UHFFFAOYSA-N
XLogP3.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513815
2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119559244
N-(2-methylpiperidin-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 120574805
2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 131134455
2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide
CID 134038041
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 78759978
2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 119461515
2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119462971
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 94180255
N-[2-(4-methylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133265071
3-methoxy-2-methyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461546
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 134038047

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (CID 119463702) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is Cc1ccc(C(C)C)c(OC(C)C(=O)NCC2CCCNC2)c1.Cl.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The InChIKey is LULRMGGUSQQKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-13(2)17-8-7-14(3)10-18(17)23-15(4)19(22)21-12-16-6-5-9-20-11-16;/h7-8,10,13,15-16,20H,5-6,9,11-12H2,1-4H3,(H,21,22);1H.
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
2-(5-methyl-2-propan-2-ylphenoxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119463702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).