N-[4-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-(3-methoxypropyl)phenyl]methyl]piperazin-1-yl]-N-methylhydroxylamine

C27H42N6O3 — CID 143877125

IUPACN-[4-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-(3-methoxypropyl)phenyl]methyl]piperazin-1-yl]-N-methylhydroxylamine
SMILESCCc1cnc(N2CCC(Oc3ccc(CN4CCN(N(C)O)CC4)cc3CCCOC)CC2)nc1
InChIInChI=1S/C27H42N6O3/c1-4-22-19-28-27(29-20-22)32-11-9-25(10-12-32)36-26-8-7-23(18-24(26)6-5-17-35-3)21-31-13-15-33(16-14-31)30(2)34/h7-8,18-20,25,34H,4-6,9-17,21H2,1-3H3
InChIKeyOSKHFJSGIADCIT-UHFFFAOYSA-N
MW498.67 g/mol
LogP3.02
Rot. Bonds11

About N-[4-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-(3-methoxypropyl)phenyl]methyl]piperazin-1-yl]-N-methylhydroxylamine

N-[4-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-(3-methoxypropyl)phenyl]methyl]piperazin-1-yl]-N-methylhydroxylamine (PubChem CID 143877125) has the molecular formula C27H42N6O3 and a molecular weight of 498.67 g/mol. Its IUPAC name is N-[4-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-(3-methoxypropyl)phenyl]methyl]piperazin-1-yl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[4-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-(3-methoxypropyl)phenyl]methyl]piperazin-1-yl]-N-methylhydroxylamine
PubChem CID143877125
Molecular FormulaC27H42N6O3
Molecular Weight498.67 g/mol
Exact Mass498.33
IUPAC NameN-[4-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-(3-methoxypropyl)phenyl]methyl]piperazin-1-yl]-N-methylhydroxylamine
SMILESCCc1cnc(N2CCC(Oc3ccc(CN4CCN(N(C)O)CC4)cc3CCCOC)CC2)nc1
InChIInChI=1S/C27H42N6O3/c1-4-22-19-28-27(29-20-22)32-11-9-25(10-12-32)36-26-8-7-23(18-24(26)6-5-17-35-3)21-31-13-15-33(16-14-31)30(2)34/h7-8,18-20,25,34H,4-6,9-17,21H2,1-3H3
InChIKeyOSKHFJSGIADCIT-UHFFFAOYSA-N
XLogP3.02
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.67
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-(3-methoxypropyl)phenyl]methyl]piperazin-1-yl]-N-methylhydroxylamine 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

5-ethyl-2-[4-[2-(3-methoxypropyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]pyrimidine
CID 58483518
5-ethyl-2-[4-[2-[(E)-3-methoxyprop-1-enyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]pyrimidine;5-ethyl-2-[4-[2-(3-methoxypropyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]pyrimidine;methane
CID 162172647
5-ethyl-2-[4-[4-[(4-methylsulfinylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]pyrimidine
CID 66874331
N-[1-[[3-chloro-4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]azetidin-3-yl]ethanesulfonamide
CID 91497236
4-[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]morpholin-4-ium
CID 173073824
2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine
CID 138988924
4-[[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]methyl]-N-methylpiperazin-1-amine
CID 143877131
2-[4-[2-chloro-4-[(1-methylsulfonylazetidin-3-yl)methyl]phenoxy]piperidin-1-yl]-5-ethylpyrimidine
CID 142716950
2-[4-(1,2-dihydropyridin-4-yloxy)piperidin-1-yl]-5-ethylpyrimidine
CID 142711209
2-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine
CID 77097117
N-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-N,2,6-trimethylpyridin-3-amine
CID 91198410
5-ethyl-2-[4-[3-(4-methylphenyl)phenoxy]piperidin-1-yl]pyrimidine
CID 90810331

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-(3-methoxypropyl)phenyl]methyl]piperazin-1-yl]-N-methylhydroxylamine?
The IUPAC name of N-[4-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-(3-methoxypropyl)phenyl]methyl]piperazin-1-yl]-N-methylhydroxylamine (CID 143877125) is N-[4-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-(3-methoxypropyl)phenyl]methyl]piperazin-1-yl]-N-methylhydroxylamine.
What is the SMILES notation for N-[4-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-(3-methoxypropyl)phenyl]methyl]piperazin-1-yl]-N-methylhydroxylamine?
The canonical SMILES for N-[4-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-(3-methoxypropyl)phenyl]methyl]piperazin-1-yl]-N-methylhydroxylamine is CCc1cnc(N2CCC(Oc3ccc(CN4CCN(N(C)O)CC4)cc3CCCOC)CC2)nc1.
What is the InChIKey of N-[4-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-(3-methoxypropyl)phenyl]methyl]piperazin-1-yl]-N-methylhydroxylamine?
The InChIKey is OSKHFJSGIADCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N6O3/c1-4-22-19-28-27(29-20-22)32-11-9-25(10-12-32)36-26-8-7-23(18-24(26)6-5-17-35-3)21-31-13-15-33(16-14-31)30(2)34/h7-8,18-20,25,34H,4-6,9-17,21H2,1-3H3.
What are the key properties of N-[4-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-(3-methoxypropyl)phenyl]methyl]piperazin-1-yl]-N-methylhydroxylamine?
N-[4-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-(3-methoxypropyl)phenyl]methyl]piperazin-1-yl]-N-methylhydroxylamine has a molecular weight of 498.67 g/mol, XLogP of 3.02, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-(3-methoxypropyl)phenyl]methyl]piperazin-1-yl]-N-methylhydroxylamine is sourced from PubChem (CID 143877125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).