N-[2-[4-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]ethyl]acetamide

C22H29N3O2 — CID 139880412

IUPACN-[2-[4-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(O)CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-18(26)23-12-11-19-7-9-20(10-8-19)22(27)17-24-13-15-25(16-14-24)21-5-3-2-4-6-21/h2-10,22,27H,11-17H2,1H3,(H,23,26)
InChIKeyWPDSINAREUYFHK-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.22
Rot. Bonds7

About N-[2-[4-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]ethyl]acetamide

N-[2-[4-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]ethyl]acetamide (PubChem CID 139880412) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[2-[4-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]ethyl]acetamide
PubChem CID139880412
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[2-[4-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(O)CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-18(26)23-12-11-19-7-9-20(10-8-19)22(27)17-24-13-15-25(16-14-24)21-5-3-2-4-6-21/h2-10,22,27H,11-17H2,1H3,(H,23,26)
InChIKeyWPDSINAREUYFHK-UHFFFAOYSA-N
XLogP2.22
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]phenyl]methyl]acetamide
CID 139880353
N-[[4-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]phenyl]methyl]acetamide;dihydrate;dihydrochloride
CID 139880397
N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 36845543
N-[2-[2-amino-4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethyl]acetamide
CID 174432133
1-(4-nitrophenyl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 3466603
(1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 95104653
N-[2-[4-[[4-[3-(aminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]ethyl]acetamide
CID 174378709
3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol
CID 110880205
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850
N-[2-(4-hydroxyphenyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108503201
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 8688217
N'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891599

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]ethyl]acetamide (CID 139880412) is N-[2-[4-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(C(O)CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-[4-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]ethyl]acetamide?
The InChIKey is WPDSINAREUYFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-18(26)23-12-11-19-7-9-20(10-8-19)22(27)17-24-13-15-25(16-14-24)21-5-3-2-4-6-21/h2-10,22,27H,11-17H2,1H3,(H,23,26).
What are the key properties of N-[2-[4-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]ethyl]acetamide?
N-[2-[4-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]ethyl]acetamide has a molecular weight of 367.49 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 139880412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).