N-benzyl-2-[4-(6-cyano-3-pyridinyl)piperazin-1-yl]acetamide

C19H21N5O — CID 133369980

IUPACN-benzyl-2-[4-(6-cyano-3-pyridinyl)piperazin-1-yl]acetamide
SMILESN#Cc1ccc(N2CCN(CC(=O)NCc3ccccc3)CC2)cn1
InChIInChI=1S/C19H21N5O/c20-12-17-6-7-18(14-21-17)24-10-8-23(9-11-24)15-19(25)22-13-16-4-2-1-3-5-16/h1-7,14H,8-11,13,15H2,(H,22,25)
InChIKeyWQELLHNSDMCMGB-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.39
Rot. Bonds5

About N-benzyl-2-[4-(6-cyano-3-pyridinyl)piperazin-1-yl]acetamide

N-benzyl-2-[4-(6-cyano-3-pyridinyl)piperazin-1-yl]acetamide (PubChem CID 133369980) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-benzyl-2-[4-(6-cyano-3-pyridinyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(6-cyano-3-pyridinyl)piperazin-1-yl]acetamide
PubChem CID133369980
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-benzyl-2-[4-(6-cyano-3-pyridinyl)piperazin-1-yl]acetamide
SMILESN#Cc1ccc(N2CCN(CC(=O)NCc3ccccc3)CC2)cn1
InChIInChI=1S/C19H21N5O/c20-12-17-6-7-18(14-21-17)24-10-8-23(9-11-24)15-19(25)22-13-16-4-2-1-3-5-16/h1-7,14H,8-11,13,15H2,(H,22,25)
InChIKeyWQELLHNSDMCMGB-UHFFFAOYSA-N
XLogP1.39
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(6-cyano-3-pyridinyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 133358610
5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]pyridine-2-carbonitrile
CID 133335172
N-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 75391386
5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 133369865
2-acetamido-5-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 50782397
N-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 26041068
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 46162299
2-[4-(2-cyanoquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide
CID 133316675
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide
CID 6467232
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6469246
N-benzyl-2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 167974239
N-benzyl-2-[4-(1-cyanocyclopentanecarbonyl)piperazin-1-yl]acetamide
CID 39687530

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(6-cyano-3-pyridinyl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(6-cyano-3-pyridinyl)piperazin-1-yl]acetamide (CID 133369980) is N-benzyl-2-[4-(6-cyano-3-pyridinyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(6-cyano-3-pyridinyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(6-cyano-3-pyridinyl)piperazin-1-yl]acetamide is N#Cc1ccc(N2CCN(CC(=O)NCc3ccccc3)CC2)cn1.
What is the InChIKey of N-benzyl-2-[4-(6-cyano-3-pyridinyl)piperazin-1-yl]acetamide?
The InChIKey is WQELLHNSDMCMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c20-12-17-6-7-18(14-21-17)24-10-8-23(9-11-24)15-19(25)22-13-16-4-2-1-3-5-16/h1-7,14H,8-11,13,15H2,(H,22,25).
What are the key properties of N-benzyl-2-[4-(6-cyano-3-pyridinyl)piperazin-1-yl]acetamide?
N-benzyl-2-[4-(6-cyano-3-pyridinyl)piperazin-1-yl]acetamide has a molecular weight of 335.41 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(6-cyano-3-pyridinyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 133369980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).