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

C18H29ClN2O2 — CID 119428403

IUPAC2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
SMILESCc1ccc(C(C)C)cc1OC(C)C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-12(2)15-8-7-13(3)17(10-15)22-14(4)18(21)20-16-6-5-9-19-11-16;/h7-8,10,12,14,16,19H,5-6,9,11H2,1-4H3,(H,20,21);1H
InChIKeyCQZKGXMAIRLKKQ-UHFFFAOYSA-N
MW340.90 g/mol
LogP3.18
Rot. Bonds5

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

2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride (PubChem CID 119428403) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
PubChem CID119428403
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC Name2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
SMILESCc1ccc(C(C)C)cc1OC(C)C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-12(2)15-8-7-13(3)17(10-15)22-14(4)18(21)20-16-6-5-9-19-11-16;/h7-8,10,12,14,16,19H,5-6,9,11H2,1-4H3,(H,20,21);1H
InChIKeyCQZKGXMAIRLKKQ-UHFFFAOYSA-N
XLogP3.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389695
N-(3-methylpiperidin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120554482
N-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119425040
2-(2-methyl-5-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119537381
2-(2-methyl-5-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513940
2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119454077
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
CID 47115044
2-methoxy-N-[(3S)-piperidin-3-yl]propanamide
CID 103866505
(3S)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]piperidine
CID 28750110
2-naphthalen-2-yl-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428640
2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119451437
N-[2-(ethylamino)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119508717

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride (CID 119428403) is 2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride is Cc1ccc(C(C)C)cc1OC(C)C(=O)NC1CCCNC1.Cl.
What is the InChIKey of 2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride?
The InChIKey is CQZKGXMAIRLKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-12(2)15-8-7-13(3)17(10-15)22-14(4)18(21)20-16-6-5-9-19-11-16;/h7-8,10,12,14,16,19H,5-6,9,11H2,1-4H3,(H,20,21);1H.
What are the key properties of 2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride?
2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119428403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).