N-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide

C21H25N5O3 — CID 55680044

IUPACN-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CN2CCN(c3cc(C#N)ccn3)CC2)cc1
InChIInChI=1S/C21H25N5O3/c1-16(27)24-18-2-4-20(5-3-18)29-15-19(28)14-25-8-10-26(11-9-25)21-12-17(13-22)6-7-23-21/h2-7,12,19,28H,8-11,14-15H2,1H3,(H,24,27)
InChIKeyVMVJQHXHBAPRHI-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.47
Rot. Bonds7

About N-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide

N-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 55680044) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
PubChem CID55680044
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CN2CCN(c3cc(C#N)ccn3)CC2)cc1
InChIInChI=1S/C21H25N5O3/c1-16(27)24-18-2-4-20(5-3-18)29-15-19(28)14-25-8-10-26(11-9-25)21-12-17(13-22)6-7-23-21/h2-7,12,19,28H,8-11,14-15H2,1H3,(H,24,27)
InChIKeyVMVJQHXHBAPRHI-UHFFFAOYSA-N
XLogP1.47
TPSA101.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 166234338
N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride
CID 46863837
N-[4-[3-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 2962059
4-[(2S)-2-hydroxy-3-(4-pyrazin-2-ylpiperazin-1-yl)propoxy]benzonitrile
CID 93251377
N-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]acetamide
CID 2962057
ethyl 4-[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
CID 7126214
ethyl 4-[3-(4-acetamidophenoxy)-2-hydroxypropyl]piperazine-1-carboxylate;hydrochloride
CID 44891568
N-[4-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]phenyl]acetamide
CID 18559038
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 43521668
[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea
CID 67250924
N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide
CID 1095842

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of N-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide (CID 55680044) is N-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(O)CN2CCN(c3cc(C#N)ccn3)CC2)cc1.
What is the InChIKey of N-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is VMVJQHXHBAPRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-16(27)24-18-2-4-20(5-3-18)29-15-19(28)14-25-8-10-26(11-9-25)21-12-17(13-22)6-7-23-21/h2-7,12,19,28H,8-11,14-15H2,1H3,(H,24,27).
What are the key properties of N-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
N-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 395.46 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 55680044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).