4-methoxy-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

C19H29N3O3 — CID 50779618

IUPAC4-methoxy-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CC(C)C)cc1
InChIInChI=1S/C19H29N3O3/c1-15(2)14-22(11-8-18(23)21-12-9-20-10-13-21)19(24)16-4-6-17(25-3)7-5-16/h4-7,15,20H,8-14H2,1-3H3
InChIKeyOSQZDYVVSUXGRO-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.62
Rot. Bonds7

About 4-methoxy-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

4-methoxy-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (PubChem CID 50779618) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-methoxy-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
PubChem CID50779618
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name4-methoxy-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CC(C)C)cc1
InChIInChI=1S/C19H29N3O3/c1-15(2)14-22(11-8-18(23)21-12-9-20-10-13-21)19(24)16-4-6-17(25-3)7-5-16/h4-7,15,20H,8-14H2,1-3H3
InChIKeyOSQZDYVVSUXGRO-UHFFFAOYSA-N
XLogP1.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779795
3-acetamido-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779586
4-butoxy-N-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779310
4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide
CID 94078053
N-(2-methoxyethyl)-4-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779269
1-(4-methoxyphenyl)-4-piperazin-1-ylbutane-1,4-dione;hydrochloride
CID 119401755
4-bromo-N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779430
4-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 46333078
4-bromo-N-(3-methoxypropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779713
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779414
N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2R)-2-phenylpropyl]-4-(trifluoromethyl)benzamide
CID 93057923
N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide
CID 50779268

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 4-methoxy-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (CID 50779618) is 4-methoxy-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 4-methoxy-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is COc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CC(C)C)cc1.
What is the InChIKey of 4-methoxy-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The InChIKey is OSQZDYVVSUXGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15(2)14-22(11-8-18(23)21-12-9-20-10-13-21)19(24)16-4-6-17(25-3)7-5-16/h4-7,15,20H,8-14H2,1-3H3.
What are the key properties of 4-methoxy-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
4-methoxy-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide has a molecular weight of 347.46 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 50779618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).