2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide

C19H30N4O — CID 119441700

IUPAC2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide
SMILESCN(C(=O)CN1CCN(Cc2ccccc2)CC1)C1CCNCC1
InChIInChI=1S/C19H30N4O/c1-21(18-7-9-20-10-8-18)19(24)16-23-13-11-22(12-14-23)15-17-5-3-2-4-6-17/h2-6,18,20H,7-16H2,1H3
InChIKeyLPIXDJXSGTXIMK-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.01
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide

2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide (PubChem CID 119441700) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide
PubChem CID119441700
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide
SMILESCN(C(=O)CN1CCN(Cc2ccccc2)CC1)C1CCNCC1
InChIInChI=1S/C19H30N4O/c1-21(18-7-9-20-10-8-18)19(24)16-23-13-11-22(12-14-23)15-17-5-3-2-4-6-17/h2-6,18,20H,7-16H2,1H3
InChIKeyLPIXDJXSGTXIMK-UHFFFAOYSA-N
XLogP1.01
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Benzhydrylpiperazin-1-yl)ethanone
CID 885644
1-Benzyl-4-(isopropylamino)piperidine-4-carboxamide
CID 70573
Verruculotoxin
CID 162146
1-Benzyl-4-carbamoyl-4-piperidinopiperidine
CID 74480
1-Benzyl-4-(methylamino)piperidine-4-carboxamide
CID 96411
1-Benzyl-4-(propylamino)piperidine-4-carboxamide
CID 70574
N,N'-Dibenzyloxamide
CID 219253
Smac peptido-mimetic 1
CID 11200722
4-Benzylpiperazine-2,6-dione
CID 560967
2-(4-benzylpiperazin-1-yl)-N-(tert-butylcarbamoyl)acetamide
CID 2496927
Simufilam
CID 46195331
Acetamide, N-(alpha-cyclohexylbenzyl)-2-(diethylamino)-
CID 209457

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide (CID 119441700) is 2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide is CN(C(=O)CN1CCN(Cc2ccccc2)CC1)C1CCNCC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide?
The InChIKey is LPIXDJXSGTXIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-21(18-7-9-20-10-8-18)19(24)16-23-13-11-22(12-14-23)15-17-5-3-2-4-6-17/h2-6,18,20H,7-16H2,1H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide?
2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide has a molecular weight of 330.48 g/mol, XLogP of 1.01, 5 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-methyl-N-piperidin-4-ylacetamide is sourced from PubChem (CID 119441700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).