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

C25H25N5O — CID 68872698

IUPACN-(3-benzylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide
SMILESN#Cc1cccnc1N1CCN(CC(=O)Nc2cccc(Cc3ccccc3)c2)CC1
InChIInChI=1S/C25H25N5O/c26-18-22-9-5-11-27-25(22)30-14-12-29(13-15-30)19-24(31)28-23-10-4-8-21(17-23)16-20-6-2-1-3-7-20/h1-11,17H,12-16,19H2,(H,28,31)
InChIKeyCRDXGNOVDVFSGF-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.30
Rot. Bonds6

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

N-(3-benzylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide (PubChem CID 68872698) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is N-(3-benzylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-benzylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide
PubChem CID68872698
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC NameN-(3-benzylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide
SMILESN#Cc1cccnc1N1CCN(CC(=O)Nc2cccc(Cc3ccccc3)c2)CC1
InChIInChI=1S/C25H25N5O/c26-18-22-9-5-11-27-25(22)30-14-12-29(13-15-30)19-24(31)28-23-10-4-8-21(17-23)16-20-6-2-1-3-7-20/h1-11,17H,12-16,19H2,(H,28,31)
InChIKeyCRDXGNOVDVFSGF-UHFFFAOYSA-N
XLogP3.30
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-tert-butylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide
CID 68875408
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 10406576
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 68872911
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 10337040
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 68872500
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 10070201
N-[(3-chlorophenyl)methyl]-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide
CID 134031812
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91841684
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-cyclopropylethyl)acetamide
CID 134031972
(2R)-2-[[4-(3-cyano-2-pyridinyl)piperazin-1-yl]methyl]-4-(3-methoxyanilino)-4-oxobutanoic acid
CID 95389338
N-(3-chloro-4-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8541968
N-(3-chloro-4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5043291

Frequently Asked Questions

What is the IUPAC name of N-(3-benzylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-benzylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide (CID 68872698) is N-(3-benzylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-benzylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-benzylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide is N#Cc1cccnc1N1CCN(CC(=O)Nc2cccc(Cc3ccccc3)c2)CC1.
What is the InChIKey of N-(3-benzylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide?
The InChIKey is CRDXGNOVDVFSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c26-18-22-9-5-11-27-25(22)30-14-12-29(13-15-30)19-24(31)28-23-10-4-8-21(17-23)16-20-6-2-1-3-7-20/h1-11,17H,12-16,19H2,(H,28,31).
What are the key properties of N-(3-benzylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide?
N-(3-benzylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide has a molecular weight of 411.51 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 68872698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).