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N-[4-[[3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide

C24H33N3O3 — CID 45206750

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[4-[[3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
SMILESCOc1ccc(CN2CCN(Cc3ccc(NC(C)=O)cc3)CC2CCO)cc1C
InChIInChI=1S/C24H33N3O3/c1-18-14-21(6-9-24(18)30-3)16-27-12-11-26(17-23(27)10-13-28)15-20-4-7-22(8-5-20)25-19(2)29/h4-9,14,23,28H,10-13,15-17H2,1-3H3,(H,25,29)
InChIKeyZNQBMCRUPKJFPQ-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.03
Rot. Bonds8

About N-[4-[[3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide

N-[4-[[3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide (PubChem CID 45206750) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[4-[[3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
PubChem CID45206750
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-[4-[[3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
SMILESCOc1ccc(CN2CCN(Cc3ccc(NC(C)=O)cc3)CC2CCO)cc1C
InChIInChI=1S/C24H33N3O3/c1-18-14-21(6-9-24(18)30-3)16-27-12-11-26(17-23(27)10-13-28)15-20-4-7-22(8-5-20)25-19(2)29/h4-9,14,23,28H,10-13,15-17H2,1-3H3,(H,25,29)
InChIKeyZNQBMCRUPKJFPQ-UHFFFAOYSA-N
XLogP3.03
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide (CID 45206750) is N-[4-[[3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide is COc1ccc(CN2CCN(Cc3ccc(NC(C)=O)cc3)CC2CCO)cc1C.
What is the InChIKey of N-[4-[[3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide?
The InChIKey is ZNQBMCRUPKJFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-18-14-21(6-9-24(18)30-3)16-27-12-11-26(17-23(27)10-13-28)15-20-4-7-22(8-5-20)25-19(2)29/h4-9,14,23,28H,10-13,15-17H2,1-3H3,(H,25,29).
What are the key properties of N-[4-[[3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide?
N-[4-[[3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide has a molecular weight of 411.55 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 45206750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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