N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-N,1,2-trimethylpyrrole-3-carboxamide

C22H31N3O2 — CID 126805110

IUPACN-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-N,1,2-trimethylpyrrole-3-carboxamide
SMILESCc1c(C(=O)N(C)CC2CCN(CC(O)c3ccccc3)CC2)ccn1C
InChIInChI=1S/C22H31N3O2/c1-17-20(11-12-23(17)2)22(27)24(3)15-18-9-13-25(14-10-18)16-21(26)19-7-5-4-6-8-19/h4-8,11-12,18,21,26H,9-10,13-16H2,1-3H3
InChIKeyGGXPZRMQUGHPIU-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.85
Rot. Bonds6

About N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-N,1,2-trimethylpyrrole-3-carboxamide

N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-N,1,2-trimethylpyrrole-3-carboxamide (PubChem CID 126805110) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-N,1,2-trimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-N,1,2-trimethylpyrrole-3-carboxamide
PubChem CID126805110
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-N,1,2-trimethylpyrrole-3-carboxamide
SMILESCc1c(C(=O)N(C)CC2CCN(CC(O)c3ccccc3)CC2)ccn1C
InChIInChI=1S/C22H31N3O2/c1-17-20(11-12-23(17)2)22(27)24(3)15-18-9-13-25(14-10-18)16-21(26)19-7-5-4-6-8-19/h4-8,11-12,18,21,26H,9-10,13-16H2,1-3H3
InChIKeyGGXPZRMQUGHPIU-UHFFFAOYSA-N
XLogP2.85
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-N,1,2-trimethylpyrrole-3-carboxamide with MolForge

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Related Compounds

(2R)-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 99820905
2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 86895161
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 110898679
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612776
2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 86895153
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
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-phenylethanol
CID 111635011
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
(1S)-2-[4-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95289588
2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile
CID 145394980

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-N,1,2-trimethylpyrrole-3-carboxamide?
The IUPAC name of N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-N,1,2-trimethylpyrrole-3-carboxamide (CID 126805110) is N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-N,1,2-trimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-N,1,2-trimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-N,1,2-trimethylpyrrole-3-carboxamide is Cc1c(C(=O)N(C)CC2CCN(CC(O)c3ccccc3)CC2)ccn1C.
What is the InChIKey of N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-N,1,2-trimethylpyrrole-3-carboxamide?
The InChIKey is GGXPZRMQUGHPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-17-20(11-12-23(17)2)22(27)24(3)15-18-9-13-25(14-10-18)16-21(26)19-7-5-4-6-8-19/h4-8,11-12,18,21,26H,9-10,13-16H2,1-3H3.
What are the key properties of N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-N,1,2-trimethylpyrrole-3-carboxamide?
N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-N,1,2-trimethylpyrrole-3-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-N,1,2-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 126805110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).