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

C19H30N4O — CID 119460598

IUPAC2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NCC1CCCNC1
InChIInChI=1S/C19H30N4O/c24-19(21-14-18-7-4-8-20-13-18)16-23-11-9-22(10-12-23)15-17-5-2-1-3-6-17/h1-3,5-6,18,20H,4,7-16H2,(H,21,24)
InChIKeyQUYXJJRMBYFDFL-UHFFFAOYSA-N
MW330.48 g/mol
LogP0.92
Rot. Bonds6

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

2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide (PubChem CID 119460598) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide
PubChem CID119460598
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NCC1CCCNC1
InChIInChI=1S/C19H30N4O/c24-19(21-14-18-7-4-8-20-13-18)16-23-11-9-22(10-12-23)15-17-5-2-1-3-6-17/h1-3,5-6,18,20H,4,7-16H2,(H,21,24)
InChIKeyQUYXJJRMBYFDFL-UHFFFAOYSA-N
XLogP0.92
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460597
2-(4-benzylpiperazin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119555709
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
N-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 119864188
2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120946032
3-phenylmethoxy-N-(piperidin-3-ylmethyl)propanamide
CID 119461064
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
1-piperidin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
CID 83962741
2-(5-phenyltetrazol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463131
1-(2-phenylethyl)-3-[[(3S)-piperidin-3-yl]methyl]urea;hydrochloride
CID 165429715
2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 9223532

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide (CID 119460598) is 2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)NCC1CCCNC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide?
The InChIKey is QUYXJJRMBYFDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c24-19(21-14-18-7-4-8-20-13-18)16-23-11-9-22(10-12-23)15-17-5-2-1-3-6-17/h1-3,5-6,18,20H,4,7-16H2,(H,21,24).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide?
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide has a molecular weight of 330.48 g/mol, XLogP of 0.92, 6 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-(piperidin-3-ylmethyl)acetamide is sourced from PubChem (CID 119460598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).