2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride

C18H29ClN2O2 — CID 119387262

IUPAC2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCC(Oc1cccc(C(C)(C)C)c1)C(=O)NC1CCNCC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-13(17(21)20-15-8-10-19-11-9-15)22-16-7-5-6-14(12-16)18(2,3)4;/h5-7,12-13,15,19H,8-11H2,1-4H3,(H,20,21);1H
InChIKeyWULRAHPTGQLFNA-UHFFFAOYSA-N
MW340.90 g/mol
LogP3.04
Rot. Bonds4

About 2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride

2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride (PubChem CID 119387262) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
PubChem CID119387262
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC Name2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCC(Oc1cccc(C(C)(C)C)c1)C(=O)NC1CCNCC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-13(17(21)20-15-8-10-19-11-9-15)22-16-7-5-6-14(12-16)18(2,3)4;/h5-7,12-13,15,19H,8-11H2,1-4H3,(H,20,21);1H
InChIKeyWULRAHPTGQLFNA-UHFFFAOYSA-N
XLogP3.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389162
cis-(1S,3R)-3-[2-(3-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120676520
N-piperidin-4-yl-2-pyridin-3-yloxypropanamide;dihydrochloride
CID 119389266
2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119450905
2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119386601
N-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119425040
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
N-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 55770987
N-cyclooctyl-2-(3-methylphenoxy)propanamide
CID 2976571
2-(2-chlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119387688

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride?
The IUPAC name of 2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride (CID 119387262) is 2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride?
The canonical SMILES for 2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride is CC(Oc1cccc(C(C)(C)C)c1)C(=O)NC1CCNCC1.Cl.
What is the InChIKey of 2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride?
The InChIKey is WULRAHPTGQLFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-13(17(21)20-15-8-10-19-11-9-15)22-16-7-5-6-14(12-16)18(2,3)4;/h5-7,12-13,15,19H,8-11H2,1-4H3,(H,20,21);1H.
What are the key properties of 2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride?
2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride is sourced from PubChem (CID 119387262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).