2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C24H37N5O2 — CID 86895153

IUPAC2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C(C)N(C)CC1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C24H37N5O2/c1-17-23(18(2)28(5)26-17)25-24(31)19(3)27(4)15-20-11-13-29(14-12-20)16-22(30)21-9-7-6-8-10-21/h6-10,19-20,22,30H,11-16H2,1-5H3,(H,25,31)
InChIKeyCXWSPUFBSKLGIE-UHFFFAOYSA-N
MW427.59 g/mol
LogP2.74
Rot. Bonds8

About 2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 86895153) has the molecular formula C24H37N5O2 and a molecular weight of 427.59 g/mol. Its IUPAC name is 2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID86895153
Molecular FormulaC24H37N5O2
Molecular Weight427.59 g/mol
Exact Mass427.29
IUPAC Name2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C(C)N(C)CC1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C24H37N5O2/c1-17-23(18(2)28(5)26-17)25-24(31)19(3)27(4)15-20-11-13-29(14-12-20)16-22(30)21-9-7-6-8-10-21/h6-10,19-20,22,30H,11-16H2,1-5H3,(H,25,31)
InChIKeyCXWSPUFBSKLGIE-UHFFFAOYSA-N
XLogP2.74
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-N,1,2-trimethylpyrrole-3-carboxamide
CID 126805110
(2S)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8815206
2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 86895161
(1S)-1-phenyl-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 95341722
(2R)-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 99820905
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 110898679
(1S)-2-[4-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95289588
(2R)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8847225
(1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95751286
(1S)-2-[4-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95292947
3-[[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]methyl]benzoic acid
CID 122029023
(3S,5R)-3-[[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl-methylamino]-5-methyloxolan-2-one
CID 95291879

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of 2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 86895153) is 2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1NC(=O)C(C)N(C)CC1CCN(CC(O)c2ccccc2)CC1.
What is the InChIKey of 2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is CXWSPUFBSKLGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O2/c1-17-23(18(2)28(5)26-17)25-24(31)19(3)27(4)15-20-11-13-29(14-12-20)16-22(30)21-9-7-6-8-10-21/h6-10,19-20,22,30H,11-16H2,1-5H3,(H,25,31).
What are the key properties of 2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 427.59 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 86895153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).