N-[4-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]acetamide

C22H29N3O3 — CID 2962064

IUPACN-[4-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-18(26)23-20-7-9-22(10-8-20)28-17-21(27)16-25-13-11-24(12-14-25)15-19-5-3-2-4-6-19/h2-10,21,27H,11-17H2,1H3,(H,23,26)
InChIKeyWIMAJHBWNZQVSS-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.20
Rot. Bonds8

About N-[4-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]acetamide

N-[4-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 2962064) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[4-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]acetamide
PubChem CID2962064
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[4-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-18(26)23-20-7-9-22(10-8-20)28-17-21(27)16-25-13-11-24(12-14-25)15-19-5-3-2-4-6-19/h2-10,21,27H,11-17H2,1H3,(H,23,26)
InChIKeyWIMAJHBWNZQVSS-UHFFFAOYSA-N
XLogP2.20
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of N-[4-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]acetamide (CID 2962064) is N-[4-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(O)CN2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is WIMAJHBWNZQVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-18(26)23-20-7-9-22(10-8-20)28-17-21(27)16-25-13-11-24(12-14-25)15-19-5-3-2-4-6-19/h2-10,21,27H,11-17H2,1H3,(H,23,26).
What are the key properties of N-[4-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]acetamide?
N-[4-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 383.49 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 2962064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).