N-(2-piperidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide;hydrochloride

C19H31ClN2O2 — CID 119555968

IUPACN-(2-piperidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide;hydrochloride
SMILESCc1cc(C)c(C)c(OCCC(=O)NCCC2CCCNC2)c1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-14-11-15(2)16(3)18(12-14)23-10-7-19(22)21-9-6-17-5-4-8-20-13-17;/h11-12,17,20H,4-10,13H2,1-3H3,(H,21,22);1H
InChIKeyDXXVROVPACNCFX-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.31
Rot. Bonds7

About N-(2-piperidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide;hydrochloride

N-(2-piperidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide;hydrochloride (PubChem CID 119555968) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide;hydrochloride
PubChem CID119555968
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC NameN-(2-piperidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide;hydrochloride
SMILESCc1cc(C)c(C)c(OCCC(=O)NCCC2CCCNC2)c1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-14-11-15(2)16(3)18(12-14)23-10-7-19(22)21-9-6-17-5-4-8-20-13-17;/h11-12,17,20H,4-10,13H2,1-3H3,(H,21,22);1H
InChIKeyDXXVROVPACNCFX-UHFFFAOYSA-N
XLogP3.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-pyrrolidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 119534432
3-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555554
2-(2,5-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557918
3-methoxy-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555798
2-(2,4-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557950
3-(4-methylsulfonylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119558807
3-(4-chlorophenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555737
3-(2-methoxyethoxy)-N-(2-piperidin-3-ylethyl)propanamide
CID 119558832
4-methoxy-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555814
2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 62538178
3-(2,4-dimethylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534079
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(2-piperidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide;hydrochloride (CID 119555968) is N-(2-piperidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide;hydrochloride is Cc1cc(C)c(C)c(OCCC(=O)NCCC2CCCNC2)c1.Cl.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide;hydrochloride?
The InChIKey is DXXVROVPACNCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-14-11-15(2)16(3)18(12-14)23-10-7-19(22)21-9-6-17-5-4-8-20-13-17;/h11-12,17,20H,4-10,13H2,1-3H3,(H,21,22);1H.
What are the key properties of N-(2-piperidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide;hydrochloride?
N-(2-piperidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119555968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).