4-[(4-tert-butylphenoxy)methyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride

C24H33ClN2O2 — CID 119441295

IUPAC4-[(4-tert-butylphenoxy)methyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)C1CCNCC1.Cl
InChIInChI=1S/C24H32N2O2.ClH/c1-24(2,3)20-9-11-22(12-10-20)28-17-18-5-7-19(8-6-18)23(27)26(4)21-13-15-25-16-14-21;/h5-12,21,25H,13-17H2,1-4H3;1H
InChIKeyPRYLMKGYUKDBAI-UHFFFAOYSA-N
MW416.99 g/mol
LogP4.81
Rot. Bonds5

About 4-[(4-tert-butylphenoxy)methyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride

4-[(4-tert-butylphenoxy)methyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119441295) has the molecular formula C24H33ClN2O2 and a molecular weight of 416.99 g/mol. Its IUPAC name is 4-[(4-tert-butylphenoxy)methyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(4-tert-butylphenoxy)methyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119441295
Molecular FormulaC24H33ClN2O2
Molecular Weight416.99 g/mol
Exact Mass416.22
IUPAC Name4-[(4-tert-butylphenoxy)methyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)C1CCNCC1.Cl
InChIInChI=1S/C24H32N2O2.ClH/c1-24(2,3)20-9-11-22(12-10-20)28-17-18-5-7-19(8-6-18)23(27)26(4)21-13-15-25-16-14-21;/h5-12,21,25H,13-17H2,1-4H3;1H
InChIKeyPRYLMKGYUKDBAI-UHFFFAOYSA-N
XLogP4.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.99
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methoxymethyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119553670
4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443676
4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551835
4-(ethylsulfanylmethyl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442569
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-methyl-N-piperidin-4-ylbenzamide
CID 119442398
5-[(4-fluorophenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 119441155
N-cyclopropyl-N-methyl-4-piperidin-4-yloxybenzamide
CID 143792433
3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443555
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methyl-N-piperidin-4-ylbenzamide
CID 119441548
2-(4-ethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441584
2-(4-tert-butylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 119441988
4-(3-methoxypropoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552321

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenoxy)methyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 4-[(4-tert-butylphenoxy)methyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride (CID 119441295) is 4-[(4-tert-butylphenoxy)methyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(4-tert-butylphenoxy)methyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 4-[(4-tert-butylphenoxy)methyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride is CN(C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)C1CCNCC1.Cl.
What is the InChIKey of 4-[(4-tert-butylphenoxy)methyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is PRYLMKGYUKDBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2.ClH/c1-24(2,3)20-9-11-22(12-10-20)28-17-18-5-7-19(8-6-18)23(27)26(4)21-13-15-25-16-14-21;/h5-12,21,25H,13-17H2,1-4H3;1H.
What are the key properties of 4-[(4-tert-butylphenoxy)methyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
4-[(4-tert-butylphenoxy)methyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 416.99 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenoxy)methyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119441295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).