3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide

C24H38N4O2 — CID 24589341

IUPAC3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide
SMILESCC1CC(C)CN(C(=O)CN2CCN(CCC(=O)NC(C)c3ccccc3)CC2)C1
InChIInChI=1S/C24H38N4O2/c1-19-15-20(2)17-28(16-19)24(30)18-27-13-11-26(12-14-27)10-9-23(29)25-21(3)22-7-5-4-6-8-22/h4-8,19-21H,9-18H2,1-3H3,(H,25,29)
InChIKeyHLMYEVHLTIOJKE-UHFFFAOYSA-N
MW414.59 g/mol
LogP2.38
Rot. Bonds7

About 3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide

3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide (PubChem CID 24589341) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is 3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide
PubChem CID24589341
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Name3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide
SMILESCC1CC(C)CN(C(=O)CN2CCN(CCC(=O)NC(C)c3ccccc3)CC2)C1
InChIInChI=1S/C24H38N4O2/c1-19-15-20(2)17-28(16-19)24(30)18-27-13-11-26(12-14-27)10-9-23(29)25-21(3)22-7-5-4-6-8-22/h4-8,19-21H,9-18H2,1-3H3,(H,25,29)
InChIKeyHLMYEVHLTIOJKE-UHFFFAOYSA-N
XLogP2.38
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 24589378
(2S)-N-benzhydryl-2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide
CID 30625205
3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 24589351
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30725336
N-(2,6-dichlorophenyl)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 24589344
3-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 95712844
N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95339552
N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24588722
N-[(1S)-1-phenylethyl]-3-(3-piperidin-1-ylazetidin-1-yl)propanamide
CID 124729607
3-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 98761810
3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 95322646
N-benzyl-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30636513

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide (CID 24589341) is 3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide is CC1CC(C)CN(C(=O)CN2CCN(CCC(=O)NC(C)c3ccccc3)CC2)C1.
What is the InChIKey of 3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide?
The InChIKey is HLMYEVHLTIOJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-19-15-20(2)17-28(16-19)24(30)18-27-13-11-26(12-14-27)10-9-23(29)25-21(3)22-7-5-4-6-8-22/h4-8,19-21H,9-18H2,1-3H3,(H,25,29).
What are the key properties of 3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide?
3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide has a molecular weight of 414.59 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 24589341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).