2-(4-benzylpiperazin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide

C20H32N4O — CID 119555709

IUPAC2-(4-benzylpiperazin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NCCC1CCCNC1
InChIInChI=1S/C20H32N4O/c25-20(22-10-8-18-7-4-9-21-15-18)17-24-13-11-23(12-14-24)16-19-5-2-1-3-6-19/h1-3,5-6,18,21H,4,7-17H2,(H,22,25)
InChIKeyJQHDRFWHUUYQGF-UHFFFAOYSA-N
MW344.50 g/mol
LogP1.31
Rot. Bonds7

About 2-(4-benzylpiperazin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide

2-(4-benzylpiperazin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide (PubChem CID 119555709) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide
PubChem CID119555709
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NCCC1CCCNC1
InChIInChI=1S/C20H32N4O/c25-20(22-10-8-18-7-4-9-21-15-18)17-24-13-11-23(12-14-24)16-19-5-2-1-3-6-19/h1-3,5-6,18,21H,4,7-17H2,(H,22,25)
InChIKeyJQHDRFWHUUYQGF-UHFFFAOYSA-N
XLogP1.31
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119460598
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460597
2-(2-oxo-1-pyridinyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557506
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-2-phenylacetamide
CID 119555564
2-(2-oxo-1-pyridinyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557505
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119558347
4-(2-phenylethoxy)-N-(2-piperidin-3-ylethyl)butanamide
CID 119556464
1-benzyl-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119558260
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]benzamide;hydrochloride
CID 119557882
N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62690707
2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 119500637

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide (CID 119555709) is 2-(4-benzylpiperazin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)NCCC1CCCNC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide?
The InChIKey is JQHDRFWHUUYQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c25-20(22-10-8-18-7-4-9-21-15-18)17-24-13-11-23(12-14-24)16-19-5-2-1-3-6-19/h1-3,5-6,18,21H,4,7-17H2,(H,22,25).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide?
2-(4-benzylpiperazin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide has a molecular weight of 344.50 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide is sourced from PubChem (CID 119555709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).