N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride

C18H28Cl2N4O3 — CID 119872735

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)C1CC(O)CN1
InChIInChI=1S/C18H26N4O3.2ClH/c23-15-10-16(19-11-15)18(25)20-12-17(24)22-8-6-21(7-9-22)13-14-4-2-1-3-5-14;;/h1-5,15-16,19,23H,6-13H2,(H,20,25);2*1H
InChIKeyQEIWIODLVNCGQD-UHFFFAOYSA-N
MW419.35 g/mol
LogP0.01
Rot. Bonds5

About N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119872735) has the molecular formula C18H28Cl2N4O3 and a molecular weight of 419.35 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119872735
Molecular FormulaC18H28Cl2N4O3
Molecular Weight419.35 g/mol
Exact Mass418.15
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)C1CC(O)CN1
InChIInChI=1S/C18H26N4O3.2ClH/c23-15-10-16(19-11-15)18(25)20-12-17(24)22-8-6-21(7-9-22)13-14-4-2-1-3-5-14;;/h1-5,15-16,19,23H,6-13H2,(H,20,25);2*1H
InChIKeyQEIWIODLVNCGQD-UHFFFAOYSA-N
XLogP0.01
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.35
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride
CID 119872711
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119888680
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119831321
3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119872726
methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 112993880
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride
CID 119826750
1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119872708
3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide
CID 120503600
(2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125150269

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride (CID 119872735) is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)C1CC(O)CN1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is QEIWIODLVNCGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3.2ClH/c23-15-10-16(19-11-15)18(25)20-12-17(24)22-8-6-21(7-9-22)13-14-4-2-1-3-5-14;;/h1-5,15-16,19,23H,6-13H2,(H,20,25);2*1H.
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 419.35 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119872735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).