2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide

C19H24N4O — CID 46488455

IUPAC2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NCc1ccccn1
InChIInChI=1S/C19H24N4O/c24-19(21-14-18-8-4-5-9-20-18)16-23-12-10-22(11-13-23)15-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,21,24)
InChIKeyFLQOPQMZINUALQ-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.52
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 46488455) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID46488455
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NCc1ccccn1
InChIInChI=1S/C19H24N4O/c24-19(21-14-18-8-4-5-9-20-18)16-23-12-10-22(11-13-23)15-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,21,24)
InChIKeyFLQOPQMZINUALQ-UHFFFAOYSA-N
XLogP1.52
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46055500
2-(4-aminopiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 79333901
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
4-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113107020
N-[(4-methoxyphenyl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 34727834
2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95311404
4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212679
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46056291
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanesulfonamide
CID 169225222
N-benzyl-2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 167974239
2-[(2R)-2-phenylthiomorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 97214559
N-(2-methoxyethyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 33034393

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 46488455) is 2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)NCc1ccccn1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is FLQOPQMZINUALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c24-19(21-14-18-8-4-5-9-20-18)16-23-12-10-22(11-13-23)15-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,21,24).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 324.43 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 46488455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).