2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride

C18H30Cl2N4O2 — CID 120946032

IUPAC2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCN(Cc2ccccc2)CC1)NCC1CNCC1O
InChIInChI=1S/C18H28N4O2.2ClH/c23-17-12-19-10-16(17)11-20-18(24)14-22-8-6-21(7-9-22)13-15-4-2-1-3-5-15;;/h1-5,16-17,19,23H,6-14H2,(H,20,24);2*1H
InChIKeyXBGUTRXSRLAHMK-UHFFFAOYSA-N
MW405.37 g/mol
LogP0.34
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride

2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride (PubChem CID 120946032) has the molecular formula C18H30Cl2N4O2 and a molecular weight of 405.37 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
PubChem CID120946032
Molecular FormulaC18H30Cl2N4O2
Molecular Weight405.37 g/mol
Exact Mass404.17
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCN(Cc2ccccc2)CC1)NCC1CNCC1O
InChIInChI=1S/C18H28N4O2.2ClH/c23-17-12-19-10-16(17)11-20-18(24)14-22-8-6-21(7-9-22)13-15-4-2-1-3-5-15;;/h1-5,16-17,19,23H,6-14H2,(H,20,24);2*1H
InChIKeyXBGUTRXSRLAHMK-UHFFFAOYSA-N
XLogP0.34
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.37
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460597
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119460598
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
2-(dibenzylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120948938
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 120944089
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120946487
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 120947149
2-(4-benzylpiperazin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119555709
2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 119500637
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-benzylacetamide
CID 66202371

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride (CID 120946032) is 2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride is Cl.Cl.O=C(CN1CCN(Cc2ccccc2)CC1)NCC1CNCC1O.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride?
The InChIKey is XBGUTRXSRLAHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.2ClH/c23-17-12-19-10-16(17)11-20-18(24)14-22-8-6-21(7-9-22)13-15-4-2-1-3-5-15;;/h1-5,16-17,19,23H,6-14H2,(H,20,24);2*1H.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride?
2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride has a molecular weight of 405.37 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride is sourced from PubChem (CID 120946032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).