N-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride

C17H27ClN2O2 — CID 119425040

IUPACN-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
SMILESCC(Oc1cccc(C(C)C)c1)C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-12(2)14-6-4-8-16(10-14)21-13(3)17(20)19-15-7-5-9-18-11-15;/h4,6,8,10,12-13,15,18H,5,7,9,11H2,1-3H3,(H,19,20);1H
InChIKeyCDITUFNWWKLYSY-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.87
Rot. Bonds5

About N-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride

N-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride (PubChem CID 119425040) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
PubChem CID119425040
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC NameN-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
SMILESCC(Oc1cccc(C(C)C)c1)C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-12(2)14-6-4-8-16(10-14)21-13(3)17(20)19-15-7-5-9-18-11-15;/h4,6,8,10,12-13,15,18H,5,7,9,11H2,1-3H3,(H,19,20);1H
InChIKeyCDITUFNWWKLYSY-UHFFFAOYSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428403
2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119450905
3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride
CID 119427977
2-(3-methoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450388
2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119454077
cis-(1S,3R)-3-[2-(3-propan-2-ylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120674983
2-naphthalen-2-yl-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428640
2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389162
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120945285
2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119387262
2-(3-fluorophenyl)-N-piperidin-3-ylpropanamide
CID 119424683
2-methoxy-N-[(3S)-piperidin-3-yl]propanamide
CID 103866505

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride (CID 119425040) is N-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride is CC(Oc1cccc(C(C)C)c1)C(=O)NC1CCCNC1.Cl.
What is the InChIKey of N-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride?
The InChIKey is CDITUFNWWKLYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-12(2)14-6-4-8-16(10-14)21-13(3)17(20)19-15-7-5-9-18-11-15;/h4,6,8,10,12-13,15,18H,5,7,9,11H2,1-3H3,(H,19,20);1H.
What are the key properties of N-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride?
N-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119425040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).