3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide

C19H29N3O2 — CID 50779630

IUPAC3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide
SMILESCCCN(CCC(=O)N1CCNCC1)C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C19H29N3O2/c1-4-8-22(9-5-18(23)21-10-6-20-7-11-21)19(24)17-13-15(2)12-16(3)14-17/h12-14,20H,4-11H2,1-3H3
InChIKeyNTXHRIXIDVWFFL-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.98
Rot. Bonds6

About 3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide

3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide (PubChem CID 50779630) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide
PubChem CID50779630
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide
SMILESCCCN(CCC(=O)N1CCNCC1)C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C19H29N3O2/c1-4-8-22(9-5-18(23)21-10-6-20-7-11-21)19(24)17-13-15(2)12-16(3)14-17/h12-14,20H,4-11H2,1-3H3
InChIKeyNTXHRIXIDVWFFL-UHFFFAOYSA-N
XLogP1.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide
CID 50779613
3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779591
3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057538
N-(2-methoxyethyl)-4-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779269
4-cyano-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146057453
N-butyl-3,5-dimethyl-N-propylbenzamide
CID 142843547
3-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779658
N-butyl-3,5-dimethyl-N-propylbenzamide;ethane
CID 142843546
3-(dipropylamino)-1-piperazin-1-ylpropan-1-one
CID 39255849
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779627
3-bromo-N-[(3-methylphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779708
3-acetamido-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide
CID 50779389

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide?
The IUPAC name of 3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide (CID 50779630) is 3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide.
What is the SMILES notation for 3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide?
The canonical SMILES for 3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide is CCCN(CCC(=O)N1CCNCC1)C(=O)c1cc(C)cc(C)c1.
What is the InChIKey of 3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide?
The InChIKey is NTXHRIXIDVWFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-4-8-22(9-5-18(23)21-10-6-20-7-11-21)19(24)17-13-15(2)12-16(3)14-17/h12-14,20H,4-11H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide?
3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide has a molecular weight of 331.46 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide is sourced from PubChem (CID 50779630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).