2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide

C19H29N3O — CID 97094354

IUPAC2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
SMILESC[C@@H]1CN(C)CCN1CC(=O)NC[C@@H]1CCCc2ccccc21
InChIInChI=1S/C19H29N3O/c1-15-13-21(2)10-11-22(15)14-19(23)20-12-17-8-5-7-16-6-3-4-9-18(16)17/h3-4,6,9,15,17H,5,7-8,10-14H2,1-2H3,(H,20,23)/t15-,17+/m1/s1
InChIKeyCNCCDIYVTWNXGO-WBVHZDCISA-N
MW315.46 g/mol
LogP1.86
Rot. Bonds4

About 2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide

2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide (PubChem CID 97094354) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
PubChem CID97094354
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
SMILESC[C@@H]1CN(C)CCN1CC(=O)NC[C@@H]1CCCc2ccccc21
InChIInChI=1S/C19H29N3O/c1-15-13-21(2)10-11-22(15)14-19(23)20-12-17-8-5-7-16-6-3-4-9-18(16)17/h3-4,6,9,15,17H,5,7-8,10-14H2,1-2H3,(H,20,23)/t15-,17+/m1/s1
InChIKeyCNCCDIYVTWNXGO-WBVHZDCISA-N
XLogP1.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 71877563
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 95326159
(3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethyl]piperidine-3-carboxamide
CID 124786781
N-[(R)-cyclopentyl(phenyl)methyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
CID 97094338
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63897806
2-(5-phenyltetrazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 51113096
2-(2,4-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 71877586
4-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride
CID 119291488
2-(2-methylpiperidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51170933
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 94502610
N-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetamide
CID 63773485
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 46429182

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide?
The IUPAC name of 2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide (CID 97094354) is 2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide.
What is the SMILES notation for 2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide?
The canonical SMILES for 2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide is C[C@@H]1CN(C)CCN1CC(=O)NC[C@@H]1CCCc2ccccc21.
What is the InChIKey of 2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide?
The InChIKey is CNCCDIYVTWNXGO-WBVHZDCISA-N. The full InChI is InChI=1S/C19H29N3O/c1-15-13-21(2)10-11-22(15)14-19(23)20-12-17-8-5-7-16-6-3-4-9-18(16)17/h3-4,6,9,15,17H,5,7-8,10-14H2,1-2H3,(H,20,23)/t15-,17+/m1/s1.
What are the key properties of 2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide?
2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide has a molecular weight of 315.46 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide is sourced from PubChem (CID 97094354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).