3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide;hydrochloride

C20H32ClN3O3 — CID 176544879

IUPAC3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide;hydrochloride
SMILESCC1CCCC(C)N1[13CH2][13C](=O)NCCC(=O)NCCc1ccc(O)cc1.Cl
InChIInChI=1S/C20H31N3O3.ClH/c1-15-4-3-5-16(2)23(15)14-20(26)22-13-11-19(25)21-12-10-17-6-8-18(24)9-7-17;/h6-9,15-16,24H,3-5,10-14H2,1-2H3,(H,21,25)(H,22,26);1H/i14+1,20+1;
InChIKeyLZXFDFAUIKRSNS-UEXIVMKTSA-N
MW399.93 g/mol
LogP2.24
Rot. Bonds8

About 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide;hydrochloride

3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide;hydrochloride (PubChem CID 176544879) has the molecular formula C20H32ClN3O3 and a molecular weight of 399.93 g/mol. Its IUPAC name is 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide;hydrochloride
PubChem CID176544879
Molecular FormulaC20H32ClN3O3
Molecular Weight399.93 g/mol
Exact Mass399.22
IUPAC Name3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide;hydrochloride
SMILESCC1CCCC(C)N1[13CH2][13C](=O)NCCC(=O)NCCc1ccc(O)cc1.Cl
InChIInChI=1S/C20H31N3O3.ClH/c1-15-4-3-5-16(2)23(15)14-20(26)22-13-11-19(25)21-12-10-17-6-8-18(24)9-7-17;/h6-9,15-16,24H,3-5,10-14H2,1-2H3,(H,21,25)(H,22,26);1H/i14+1,20+1;
InChIKeyLZXFDFAUIKRSNS-UEXIVMKTSA-N
XLogP2.24
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-[2-(4-hydroxyphenyl)ethyl]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

benzyl 3-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetyl]amino]propanoate
CID 59404507
(2,5-dihydroxypyrrol-1-yl) 6-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoylamino]hexanoate
CID 123990635
3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(4-oxohexyl)propanamide
CID 159541365
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-(2-hydroxyethyl)acetamide
CID 104968240
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl](15N)amino](2,3-13C2)propanoyl(15N)amino](113C)propanoate
CID 86291041
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637
N-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 172913635
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-oxopentanamide
CID 66794498
2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2698032
2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 62839241
N-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47292025
N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503179

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide;hydrochloride (CID 176544879) is 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide;hydrochloride is CC1CCCC(C)N1[13CH2][13C](=O)NCCC(=O)NCCc1ccc(O)cc1.Cl.
What is the InChIKey of 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide;hydrochloride?
The InChIKey is LZXFDFAUIKRSNS-UEXIVMKTSA-N. The full InChI is InChI=1S/C20H31N3O3.ClH/c1-15-4-3-5-16(2)23(15)14-20(26)22-13-11-19(25)21-12-10-17-6-8-18(24)9-7-17;/h6-9,15-16,24H,3-5,10-14H2,1-2H3,(H,21,25)(H,22,26);1H/i14+1,20+1;.
What are the key properties of 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide;hydrochloride?
3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide;hydrochloride has a molecular weight of 399.93 g/mol, XLogP of 2.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 176544879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).