4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide

C17H25N3O3 — CID 29207362

IUPAC4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide
SMILESCCC(=O)N1CCN(CCNC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H25N3O3/c1-3-16(21)20-12-10-19(11-13-20)9-8-18-17(22)14-4-6-15(23-2)7-5-14/h4-7H,3,8-13H2,1-2H3,(H,18,22)
InChIKeyVRTNKPXMQNXUGZ-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.98
Rot. Bonds6

About 4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide

4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide (PubChem CID 29207362) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide
PubChem CID29207362
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide
SMILESCCC(=O)N1CCN(CCNC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H25N3O3/c1-3-16(21)20-12-10-19(11-13-20)9-8-18-17(22)14-4-6-15(23-2)7-5-14/h4-7H,3,8-13H2,1-2H3,(H,18,22)
InChIKeyVRTNKPXMQNXUGZ-UHFFFAOYSA-N
XLogP0.98
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]ethyl]benzamide
CID 119883434
N-[2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 29207412
N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 29207413
4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 41136027
N-[2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide;dihydrochloride
CID 120503890
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
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
tert-butyl 4-[3-[(4-methoxybenzoyl)amino]propyl]piperazine-1-carboxylate
CID 47038372
N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 41136212

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide (CID 29207362) is 4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide is CCC(=O)N1CCN(CCNC(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is VRTNKPXMQNXUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-16(21)20-12-10-19(11-13-20)9-8-18-17(22)14-4-6-15(23-2)7-5-14/h4-7H,3,8-13H2,1-2H3,(H,18,22).
What are the key properties of 4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide?
4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 319.40 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 29207362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).