N-[2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide

C24H31N3O4 — CID 29207412

IUPACN-[2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
SMILESCCOc1ccc(CC(=O)N2CCN(CCNC(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C24H31N3O4/c1-3-31-22-8-4-19(5-9-22)18-23(28)27-16-14-26(15-17-27)13-12-25-24(29)20-6-10-21(30-2)11-7-20/h4-11H,3,12-18H2,1-2H3,(H,25,29)
InChIKeyKNPCAGKNFBDVMH-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.21
Rot. Bonds9

About N-[2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide

N-[2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide (PubChem CID 29207412) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
PubChem CID29207412
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-[2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
SMILESCCOc1ccc(CC(=O)N2CCN(CCNC(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C24H31N3O4/c1-3-31-22-8-4-19(5-9-22)18-23(28)27-16-14-26(15-17-27)13-12-25-24(29)20-6-10-21(30-2)11-7-20/h4-11H,3,12-18H2,1-2H3,(H,25,29)
InChIKeyKNPCAGKNFBDVMH-UHFFFAOYSA-N
XLogP2.21
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 29207413
4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide
CID 29207362
4-ethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237098
4-methoxy-N-[2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]ethyl]benzamide
CID 119883434
2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone
CID 113075099
2-(4-ethoxyphenyl)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 110412322
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone
CID 113073361
1-[4-(2-bromoethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 80660719
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 39985567
2-(4-ethoxyphenyl)-1-[4-[2-(4-ethylphenyl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 110366779
N-[2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide;dihydrochloride
CID 120503890

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide (CID 29207412) is N-[2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide is CCOc1ccc(CC(=O)N2CCN(CCNC(=O)c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of N-[2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide?
The InChIKey is KNPCAGKNFBDVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-3-31-22-8-4-19(5-9-22)18-23(28)27-16-14-26(15-17-27)13-12-25-24(29)20-6-10-21(30-2)11-7-20/h4-11H,3,12-18H2,1-2H3,(H,25,29).
What are the key properties of N-[2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide?
N-[2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide has a molecular weight of 425.53 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 29207412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).