3-[4-[[3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]methyl]piperazin-1-yl]propanamide

C24H40N4O3 — CID 45239518

IUPAC3-[4-[[3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]methyl]piperazin-1-yl]propanamide
SMILESCN(CC(O)COc1cccc(CN2CCN(CCC(N)=O)CC2)c1)C1CCCCC1
InChIInChI=1S/C24H40N4O3/c1-26(21-7-3-2-4-8-21)18-22(29)19-31-23-9-5-6-20(16-23)17-28-14-12-27(13-15-28)11-10-24(25)30/h5-6,9,16,21-22,29H,2-4,7-8,10-15,17-19H2,1H3,(H2,25,30)
InChIKeyLRYPOWCDVGXBEY-UHFFFAOYSA-N
MW432.61 g/mol
LogP1.68
Rot. Bonds11

About 3-[4-[[3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]methyl]piperazin-1-yl]propanamide

3-[4-[[3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]methyl]piperazin-1-yl]propanamide (PubChem CID 45239518) has the molecular formula C24H40N4O3 and a molecular weight of 432.61 g/mol. Its IUPAC name is 3-[4-[[3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-[[3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]methyl]piperazin-1-yl]propanamide
PubChem CID45239518
Molecular FormulaC24H40N4O3
Molecular Weight432.61 g/mol
Exact Mass432.31
IUPAC Name3-[4-[[3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]methyl]piperazin-1-yl]propanamide
SMILESCN(CC(O)COc1cccc(CN2CCN(CCC(N)=O)CC2)c1)C1CCCCC1
InChIInChI=1S/C24H40N4O3/c1-26(21-7-3-2-4-8-21)18-22(29)19-31-23-9-5-6-20(16-23)17-28-14-12-27(13-15-28)11-10-24(25)30/h5-6,9,16,21-22,29H,2-4,7-8,10-15,17-19H2,1H3,(H2,25,30)
InChIKeyLRYPOWCDVGXBEY-UHFFFAOYSA-N
XLogP1.68
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-[[3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]methyl]piperazin-1-yl]propanamide 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

1-[cyclohexyl(methyl)amino]-3-[3-[(4-ethylpiperazin-1-yl)methyl]phenoxy]propan-2-ol
CID 45211246
1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol
CID 43253511
(2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
CID 97279782
1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 2919622
3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43288694
methyl 1-[[3-[3-(azepan-1-yl)-2-hydroxypropoxy]phenyl]methyl]piperidine-4-carboxylate
CID 45205503
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
(2R)-1-(azepan-1-yl)-3-[3-[(4-fluoropiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 97285580
(2S)-1-(azepan-1-yl)-3-[3-[(4-fluoropiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 97285581
(2S)-3-[3-(piperidin-1-ylmethyl)phenoxy]propane-1,2-diol
CID 70943120
(2R)-1-[cyclohexyl(methyl)amino]-3-[3-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 97280507
(2R)-1-(azepan-1-yl)-3-[3-(azetidin-1-ylmethyl)phenoxy]propan-2-ol
CID 97274515

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]methyl]piperazin-1-yl]propanamide?
The IUPAC name of 3-[4-[[3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]methyl]piperazin-1-yl]propanamide (CID 45239518) is 3-[4-[[3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for 3-[4-[[3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]methyl]piperazin-1-yl]propanamide?
The canonical SMILES for 3-[4-[[3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]methyl]piperazin-1-yl]propanamide is CN(CC(O)COc1cccc(CN2CCN(CCC(N)=O)CC2)c1)C1CCCCC1.
What is the InChIKey of 3-[4-[[3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]methyl]piperazin-1-yl]propanamide?
The InChIKey is LRYPOWCDVGXBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O3/c1-26(21-7-3-2-4-8-21)18-22(29)19-31-23-9-5-6-20(16-23)17-28-14-12-27(13-15-28)11-10-24(25)30/h5-6,9,16,21-22,29H,2-4,7-8,10-15,17-19H2,1H3,(H2,25,30).
What are the key properties of 3-[4-[[3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]methyl]piperazin-1-yl]propanamide?
3-[4-[[3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]methyl]piperazin-1-yl]propanamide has a molecular weight of 432.61 g/mol, XLogP of 1.68, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 45239518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).