N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C24H28N4O3 — CID 9041718

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H28N4O3/c29-22-7-4-12-28(22)21-10-8-20(9-11-21)24(31)25-17-23(30)27-15-13-26(14-16-27)18-19-5-2-1-3-6-19/h1-3,5-6,8-11H,4,7,12-18H2,(H,25,31)
InChIKeyVAPTTWNMIWIPLN-UHFFFAOYSA-N
MW420.51 g/mol
LogP1.89
Rot. Bonds6

About N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9041718) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9041718
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H28N4O3/c29-22-7-4-12-28(22)21-10-8-20(9-11-21)24(31)25-17-23(30)27-15-13-26(14-16-27)18-19-5-2-1-3-6-19/h1-3,5-6,8-11H,4,7,12-18H2,(H,25,31)
InChIKeyVAPTTWNMIWIPLN-UHFFFAOYSA-N
XLogP1.89
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-pyrrol-1-ylbenzamide
CID 60592781
N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 41045423
N-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17418131
N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 32771555
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 27671405
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide
CID 27671411
N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17436953
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 2106255
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
CID 8653981
N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide
CID 35857881

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 9041718) is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is VAPTTWNMIWIPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-22-7-4-12-28(22)21-10-8-20(9-11-21)24(31)25-17-23(30)27-15-13-26(14-16-27)18-19-5-2-1-3-6-19/h1-3,5-6,8-11H,4,7,12-18H2,(H,25,31).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 420.51 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9041718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).