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

C19H32Cl2N4O — CID 119460597

IUPAC2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCN(Cc2ccccc2)CC1)NCC1CCCNC1
InChIInChI=1S/C19H30N4O.2ClH/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);2*1H
InChIKeyJDLKBZPUCWWUOO-UHFFFAOYSA-N
MW403.40 g/mol
LogP1.76
Rot. Bonds6

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

2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride (PubChem CID 119460597) has the molecular formula C19H32Cl2N4O and a molecular weight of 403.40 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
PubChem CID119460597
Molecular FormulaC19H32Cl2N4O
Molecular Weight403.40 g/mol
Exact Mass402.20
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCN(Cc2ccccc2)CC1)NCC1CCCNC1
InChIInChI=1S/C19H30N4O.2ClH/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);2*1H
InChIKeyJDLKBZPUCWWUOO-UHFFFAOYSA-N
XLogP1.76
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 51.76
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-(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
2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120946032
N-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 119864188
3-phenylmethoxy-N-(piperidin-3-ylmethyl)propanamide
CID 119461064
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
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-phenyl-1-[4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 119930059
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride (CID 119460597) is 2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride is Cl.Cl.O=C(CN1CCN(Cc2ccccc2)CC1)NCC1CCCNC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride?
The InChIKey is JDLKBZPUCWWUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.2ClH/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);2*1H.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride?
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride has a molecular weight of 403.40 g/mol, XLogP of 1.76, 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;dihydrochloride is sourced from PubChem (CID 119460597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).