2-[methyl(pyridin-3-ylmethyl)amino]-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethanone

C23H30N4O — CID 95707541

IUPAC2-[methyl(pyridin-3-ylmethyl)amino]-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethanone
SMILESCN(CC(=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1)Cc1cccnc1
InChIInChI=1S/C23H30N4O/c1-25(17-19-5-4-10-24-16-19)18-23(28)27-13-11-26(12-14-27)22-9-8-20-6-2-3-7-21(20)15-22/h2-7,10,16,22H,8-9,11-15,17-18H2,1H3/t22-/m1/s1
InChIKeyWRWAKUMIYMABON-JOCHJYFZSA-N
MW378.52 g/mol
LogP2.22
Rot. Bonds5

About 2-[methyl(pyridin-3-ylmethyl)amino]-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethanone

2-[methyl(pyridin-3-ylmethyl)amino]-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethanone (PubChem CID 95707541) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[methyl(pyridin-3-ylmethyl)amino]-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[methyl(pyridin-3-ylmethyl)amino]-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethanone
PubChem CID95707541
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name2-[methyl(pyridin-3-ylmethyl)amino]-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethanone
SMILESCN(CC(=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1)Cc1cccnc1
InChIInChI=1S/C23H30N4O/c1-25(17-19-5-4-10-24-16-19)18-23(28)27-13-11-26(12-14-27)22-9-8-20-6-2-3-7-21(20)15-22/h2-7,10,16,22H,8-9,11-15,17-18H2,1H3/t22-/m1/s1
InChIKeyWRWAKUMIYMABON-JOCHJYFZSA-N
XLogP2.22
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyridin-4-yl-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propan-1-one
CID 95709460
1-[4-(2-methoxyphenoxy)piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 70782961
1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 91789092
(6S)-1-methyl-4-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]-1,4-diazepane-6-carboxamide
CID 124992362
2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]ethanone
CID 124977060
[1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 118768662
3-[(3R,4S)-4-(dimethylamino)-1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]piperidin-3-yl]propanoic acid
CID 72926561
1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-2-pyridin-3-yloxyethanone
CID 56742518
1-[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 72927087
1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 46970334
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113163589
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113163569

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-3-ylmethyl)amino]-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-[methyl(pyridin-3-ylmethyl)amino]-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethanone (CID 95707541) is 2-[methyl(pyridin-3-ylmethyl)amino]-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[methyl(pyridin-3-ylmethyl)amino]-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-[methyl(pyridin-3-ylmethyl)amino]-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethanone is CN(CC(=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1)Cc1cccnc1.
What is the InChIKey of 2-[methyl(pyridin-3-ylmethyl)amino]-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethanone?
The InChIKey is WRWAKUMIYMABON-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30N4O/c1-25(17-19-5-4-10-24-16-19)18-23(28)27-13-11-26(12-14-27)22-9-8-20-6-2-3-7-21(20)15-22/h2-7,10,16,22H,8-9,11-15,17-18H2,1H3/t22-/m1/s1.
What are the key properties of 2-[methyl(pyridin-3-ylmethyl)amino]-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethanone?
2-[methyl(pyridin-3-ylmethyl)amino]-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethanone has a molecular weight of 378.52 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-3-ylmethyl)amino]-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 95707541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).