N-(3-methylpiperidin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride

C19H31ClN2O2 — CID 120554482

IUPACN-(3-methylpiperidin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride
SMILESCc1ccc(C(C)C)cc1OC(C)C(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-12(2)16-7-6-13(3)18(10-16)23-15(5)19(22)21-17-8-9-20-11-14(17)4;/h6-7,10,12,14-15,17,20H,8-9,11H2,1-5H3,(H,21,22);1H
InChIKeyPTOGZFDSRQNWKL-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.42
Rot. Bonds5

About N-(3-methylpiperidin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride

N-(3-methylpiperidin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride (PubChem CID 120554482) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride
PubChem CID120554482
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC NameN-(3-methylpiperidin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride
SMILESCc1ccc(C(C)C)cc1OC(C)C(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-12(2)16-7-6-13(3)18(10-16)23-15(5)19(22)21-17-8-9-20-11-14(17)4;/h6-7,10,12,14-15,17,20H,8-9,11H2,1-5H3,(H,21,22);1H
InChIKeyPTOGZFDSRQNWKL-UHFFFAOYSA-N
XLogP3.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428403
2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389695
2-(2-methyl-5-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119537381
2-(2-bromo-4-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120555471
2-(4-bromophenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553673
N-(3-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 120557297
2-(2-methyl-5-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513940
N-(3-methylpiperidin-4-yl)-2-naphthalen-2-ylpropanamide;hydrochloride
CID 120554727
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
CID 47115044
2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120556673
2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119454077
N-(3-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
CID 120553376

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(3-methylpiperidin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride (CID 120554482) is N-(3-methylpiperidin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride is Cc1ccc(C(C)C)cc1OC(C)C(=O)NC1CCNCC1C.Cl.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride?
The InChIKey is PTOGZFDSRQNWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-12(2)16-7-6-13(3)18(10-16)23-15(5)19(22)21-17-8-9-20-11-14(17)4;/h6-7,10,12,14-15,17,20H,8-9,11H2,1-5H3,(H,21,22);1H.
What are the key properties of N-(3-methylpiperidin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride?
N-(3-methylpiperidin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 120554482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).