N-(2-acetylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanamide

C21H23N5O2 — CID 78829253

IUPACN-(2-acetylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanamide
SMILESCC(=O)c1ccccc1NC(=O)C(C)N1CCN(c2ncccc2C#N)CC1
InChIInChI=1S/C21H23N5O2/c1-15(21(28)24-19-8-4-3-7-18(19)16(2)27)25-10-12-26(13-11-25)20-17(14-22)6-5-9-23-20/h3-9,15H,10-13H2,1-2H3,(H,24,28)
InChIKeyBOCHMEGLCMLZOY-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.31
Rot. Bonds5

About N-(2-acetylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanamide

N-(2-acetylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanamide (PubChem CID 78829253) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanamide
PubChem CID78829253
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-(2-acetylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanamide
SMILESCC(=O)c1ccccc1NC(=O)C(C)N1CCN(c2ncccc2C#N)CC1
InChIInChI=1S/C21H23N5O2/c1-15(21(28)24-19-8-4-3-7-18(19)16(2)27)25-10-12-26(13-11-25)20-17(14-22)6-5-9-23-20/h3-9,15H,10-13H2,1-2H3,(H,24,28)
InChIKeyBOCHMEGLCMLZOY-UHFFFAOYSA-N
XLogP2.31
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide
CID 134031843
(2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250084
N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 46800715
(2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9276896
N-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 51167878
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 134032020
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 78841880
tert-butyl 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanoate
CID 122141420
(2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249385
2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide
CID 46801865
N-(2-cyanophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 42912101
(2R)-N-(2-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459927

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2-acetylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanamide (CID 78829253) is N-(2-acetylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanamide is CC(=O)c1ccccc1NC(=O)C(C)N1CCN(c2ncccc2C#N)CC1.
What is the InChIKey of N-(2-acetylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanamide?
The InChIKey is BOCHMEGLCMLZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15(21(28)24-19-8-4-3-7-18(19)16(2)27)25-10-12-26(13-11-25)20-17(14-22)6-5-9-23-20/h3-9,15H,10-13H2,1-2H3,(H,24,28).
What are the key properties of N-(2-acetylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanamide?
N-(2-acetylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanamide has a molecular weight of 377.45 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 78829253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).