N-[[4-[4-(2-hydroxy-1-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]-2-pyridin-2-ylpropanamide

C26H36N4O3 — CID 126509838

IUPACN-[[4-[4-(2-hydroxy-1-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]-2-pyridin-2-ylpropanamide
SMILESCC(C(=O)NCC1(N2CCN(C(CO)c3ccccc3)CC2)CCOCC1)c1ccccn1
InChIInChI=1S/C26H36N4O3/c1-21(23-9-5-6-12-27-23)25(32)28-20-26(10-17-33-18-11-26)30-15-13-29(14-16-30)24(19-31)22-7-3-2-4-8-22/h2-9,12,21,24,31H,10-11,13-20H2,1H3,(H,28,32)
InChIKeySCIFENVMKJWSFW-UHFFFAOYSA-N
MW452.60 g/mol
LogP2.20
Rot. Bonds8

About N-[[4-[4-(2-hydroxy-1-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]-2-pyridin-2-ylpropanamide

N-[[4-[4-(2-hydroxy-1-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]-2-pyridin-2-ylpropanamide (PubChem CID 126509838) has the molecular formula C26H36N4O3 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-[[4-[4-(2-hydroxy-1-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]-2-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[[4-[4-(2-hydroxy-1-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]-2-pyridin-2-ylpropanamide
PubChem CID126509838
Molecular FormulaC26H36N4O3
Molecular Weight452.60 g/mol
Exact Mass452.28
IUPAC NameN-[[4-[4-(2-hydroxy-1-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]-2-pyridin-2-ylpropanamide
SMILESCC(C(=O)NCC1(N2CCN(C(CO)c3ccccc3)CC2)CCOCC1)c1ccccn1
InChIInChI=1S/C26H36N4O3/c1-21(23-9-5-6-12-27-23)25(32)28-20-26(10-17-33-18-11-26)30-15-13-29(14-16-30)24(19-31)22-7-3-2-4-8-22/h2-9,12,21,24,31H,10-11,13-20H2,1H3,(H,28,32)
InChIKeySCIFENVMKJWSFW-UHFFFAOYSA-N
XLogP2.20
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-[4-(2-hydroxy-1-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]-2-pyridin-2-ylpropanamide with MolForge

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Related Compounds

N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-3-chloro-2-methylpropanamide
CID 139462052
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-2-(2-phenylmethoxyphenyl)propanamide
CID 126509782
N-[[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide
CID 126507028
2-morpholin-4-yl-2-pyridin-2-ylethanol
CID 91095032
3-amino-3-phenyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
CID 119953909
N-[[1-(methoxymethyl)cyclohexyl]methyl]-2-pyridin-2-ylpropanamide
CID 154799526
N-[[4-(4-butan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylpropanamide
CID 126509121
2-methyl-1-(2-phenylpropyl)-3-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide
CID 111838498
(2S)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-2-phenylpropanamide
CID 124733637
N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbutanamide
CID 110622688
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70776358
N-[(2R)-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 31328196

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(2-hydroxy-1-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]-2-pyridin-2-ylpropanamide?
The IUPAC name of N-[[4-[4-(2-hydroxy-1-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]-2-pyridin-2-ylpropanamide (CID 126509838) is N-[[4-[4-(2-hydroxy-1-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]-2-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[[4-[4-(2-hydroxy-1-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]-2-pyridin-2-ylpropanamide?
The canonical SMILES for N-[[4-[4-(2-hydroxy-1-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]-2-pyridin-2-ylpropanamide is CC(C(=O)NCC1(N2CCN(C(CO)c3ccccc3)CC2)CCOCC1)c1ccccn1.
What is the InChIKey of N-[[4-[4-(2-hydroxy-1-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]-2-pyridin-2-ylpropanamide?
The InChIKey is SCIFENVMKJWSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3/c1-21(23-9-5-6-12-27-23)25(32)28-20-26(10-17-33-18-11-26)30-15-13-29(14-16-30)24(19-31)22-7-3-2-4-8-22/h2-9,12,21,24,31H,10-11,13-20H2,1H3,(H,28,32).
What are the key properties of N-[[4-[4-(2-hydroxy-1-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]-2-pyridin-2-ylpropanamide?
N-[[4-[4-(2-hydroxy-1-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]-2-pyridin-2-ylpropanamide has a molecular weight of 452.60 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(2-hydroxy-1-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]-2-pyridin-2-ylpropanamide is sourced from PubChem (CID 126509838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).