4-methoxy-N-[2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]ethyl]benzamide

C19H30N4O4 — CID 119883434

IUPAC4-methoxy-N-[2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]ethyl]benzamide
SMILESCOCCNCC(=O)N1CCN(CCNC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C19H30N4O4/c1-26-14-8-20-15-18(24)23-12-10-22(11-13-23)9-7-21-19(25)16-3-5-17(27-2)6-4-16/h3-6,20H,7-15H2,1-2H3,(H,21,25)
InChIKeyPBPMTIZILABMFB-UHFFFAOYSA-N
MW378.47 g/mol
LogP-0.19
Rot. Bonds10

About 4-methoxy-N-[2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]ethyl]benzamide

4-methoxy-N-[2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]ethyl]benzamide (PubChem CID 119883434) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]ethyl]benzamide
PubChem CID119883434
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name4-methoxy-N-[2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]ethyl]benzamide
SMILESCOCCNCC(=O)N1CCN(CCNC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C19H30N4O4/c1-26-14-8-20-15-18(24)23-12-10-22(11-13-23)9-7-21-19(25)16-3-5-17(27-2)6-4-16/h3-6,20H,7-15H2,1-2H3,(H,21,25)
InChIKeyPBPMTIZILABMFB-UHFFFAOYSA-N
XLogP-0.19
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide
CID 29207362
N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 29207413
N-[2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide;dihydrochloride
CID 120503890
N-[2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 29207412
4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 41136027
1-(4-ethylpiperazin-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone
CID 108995589
N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 41135956
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 39985567
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119727506
4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
CID 139726509
[2-[4-[2-[(4-methoxybenzoyl)amino]ethyl]piperazine-1-carbonyl]phenyl] acetate
CID 41136272
4-methoxy-N-[2-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethyl]benzamide;hydrochloride
CID 122081559

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]ethyl]benzamide (CID 119883434) is 4-methoxy-N-[2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]ethyl]benzamide is COCCNCC(=O)N1CCN(CCNC(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 4-methoxy-N-[2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]ethyl]benzamide?
The InChIKey is PBPMTIZILABMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-26-14-8-20-15-18(24)23-12-10-22(11-13-23)9-7-21-19(25)16-3-5-17(27-2)6-4-16/h3-6,20H,7-15H2,1-2H3,(H,21,25).
What are the key properties of 4-methoxy-N-[2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]ethyl]benzamide?
4-methoxy-N-[2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]ethyl]benzamide has a molecular weight of 378.47 g/mol, XLogP of -0.19, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 119883434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).