4-(2-ethoxyphenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide

C24H30N4O3 — CID 30691880

IUPAC4-(2-ethoxyphenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)NCc2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C24H30N4O3/c1-2-31-22-7-4-3-6-21(22)26-14-16-27(17-15-26)24(30)25-18-19-9-11-20(12-10-19)28-13-5-8-23(28)29/h3-4,6-7,9-12H,2,5,8,13-18H2,1H3,(H,25,30)
InChIKeyZBBIAOOUZGVPBG-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.24
Rot. Bonds6

About 4-(2-ethoxyphenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide

4-(2-ethoxyphenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 30691880) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID30691880
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name4-(2-ethoxyphenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)NCc2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C24H30N4O3/c1-2-31-22-7-4-3-6-21(22)26-14-16-27(17-15-26)24(30)25-18-19-9-11-20(12-10-19)28-13-5-8-23(28)29/h3-4,6-7,9-12H,2,5,8,13-18H2,1H3,(H,25,30)
InChIKeyZBBIAOOUZGVPBG-UHFFFAOYSA-N
XLogP3.24
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
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4-(2-ethoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide
CID 119071790
4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 86879794
2-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
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4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
CID 60569814
2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589720
4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 86879934
N'-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961650
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-ethoxyphenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide (CID 30691880) is 4-(2-ethoxyphenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-ethoxyphenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-ethoxyphenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide is CCOc1ccccc1N1CCN(C(=O)NCc2ccc(N3CCCC3=O)cc2)CC1.
What is the InChIKey of 4-(2-ethoxyphenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is ZBBIAOOUZGVPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-2-31-22-7-4-3-6-21(22)26-14-16-27(17-15-26)24(30)25-18-19-9-11-20(12-10-19)28-13-5-8-23(28)29/h3-4,6-7,9-12H,2,5,8,13-18H2,1H3,(H,25,30).
What are the key properties of 4-(2-ethoxyphenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide?
4-(2-ethoxyphenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 30691880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).